#\#CIF_2.0
data_CELSLC

# Crystal data
_pd_phase_name                         'Super Cell'
_cell_length_a                         2.866230
_cell_length_b                         2.866230
_cell_length_c                         2.866230
_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
    Fe  0.0000

# 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
    Fe1  Fe  1.0000  0.250000  0.250000  0.250000  Uiso  0.000000
    Fe1  Fe  1.0000  0.750000  0.750000  0.750000  Uiso  0.000000

# End of data_CELSLC
