data_[Ce12Bi8As4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Bi  2.0200  1.6000  1.0350
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [7.8574]
_cell_length_b [13.5017]
_cell_length_c [7.7600]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.3845]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ce3Bi2As]
_chemical_formula_sum '[Ce12 Bi8 As4]'
_cell_volume [776.5749]
_cell_formula_units_Z [4]
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  8  0.2253  0.4236  0.9959  1.0
  Ce  Ce1  4  0.2500  0.2500  0.5000  1.0
  Bi  Bi2  4  0.0000  0.0819  0.2500  1.0
  Bi  Bi3  4  0.0000  0.2423  0.7500  1.0
  As  As4  4  0.0000  0.4125  0.2500  1.0
]