data_[Cs12Bi8As4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  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 [11.2631]
_cell_length_b [13.6042]
_cell_length_c [7.6970]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.7060]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Cs3Bi2As]
_chemical_formula_sum '[Cs12 Bi8 As4]'
_cell_volume [1173.5331]
_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
[
  Cs  Cs0  8  0.1735  0.1132  0.0873  1
  Cs  Cs1  4  0.0000  0.3926  0.2500  1
  Bi  Bi2  8  0.1538  0.1904  0.5898  1
  As  As3  4  0.0000  0.3162  0.7500  1
]