data_[Ce6Co1Bi2C1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Co  1.8800  1.3500  0.7683
  Bi  2.0200  1.6000  1.0350
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.0157]
_cell_length_b [5.0157]
_cell_length_c [10.4695]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Ce6CoBi2C]
_chemical_formula_sum '[Ce6 Co1 Bi2 C1]'
_cell_volume [263.3822]
_cell_formula_units_Z [1]
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
[
  Ce  Ce0  2  0.0000  0.5000  0.0000  1.0
  Ce  Ce1  2  0.0000  0.5000  0.5000  1.0
  Ce  Ce2  2  0.5000  0.5000  0.2677  1.0
  Co  Co3  1  0.5000  0.5000  0.0000  1.0
  Bi  Bi4  2  0.0000  0.0000  0.2535  1.0
  C  C5  1  0.5000  0.5000  0.5000  1.0
]