#\#CIF_2.0
data_CELSLC

# Crystal data
_pd_phase_name                         'Super Cell'
_cell_length_a                         5.684590
_cell_length_b                         3.282000
_cell_length_c                         12.960000
_cell_angle_alpha                      90.0000
_cell_angle_beta                       90.0000
_cell_angle_gamma                      90.0000
_symmetry_space_group_name_H-M_alt     'P 1'
_symmetry_Int_Tables_number            1

# Symmetry operations
loop_
    _space_group_symop_id
    _space_group_symop_operation_xyz
    1    'x,y,z'

# Atomic types
loop_
    _atom_site_type_symbol
    _atom_type_oxidation_number
    W4+  4.0000
    Se2-  -2.0000

# Atomic sites
loop_
    _atom_site_label
    _atom_site_type_symbol
    _atom_site_occupancy
    _atom_site_fract_x
    _atom_site_fract_y
    _atom_site_fract_z
    _atom_site_thermal_displace_type
    _atom_site_U_iso_or_equiv
    W1  W4+  1.0000  0.333300  0.250000  0.187500  Uiso  0.004179
    W1  W4+  1.0000  0.833300  0.750000  0.187500  Uiso  0.004179
    Se1  Se2-  1.0000  0.333300  0.250000  0.558600  Uiso  0.003420
    Se1  Se2-  1.0000  0.833300  0.750000  0.558600  Uiso  0.003420
    Se1  Se2-  1.0000  0.833350  0.749950  0.816400  Uiso  0.003420
    Se1  Se2-  1.0000  0.333350  0.249950  0.816400  Uiso  0.003420
    W1  W4+  1.0000  0.666650  0.250050  0.687500  Uiso  0.004179
    W1  W4+  1.0000  0.166650  0.750050  0.687500  Uiso  0.004179
    Se1  Se2-  1.0000  0.666650  0.250050  0.058600  Uiso  0.003420
    Se1  Se2-  1.0000  0.166650  0.750050  0.058600  Uiso  0.003420
    Se1  Se2-  1.0000  0.666700  0.250000  0.316400  Uiso  0.003420
    Se1  Se2-  1.0000  0.166700  0.750000  0.316400  Uiso  0.003420

# End of data_CELSLC
