data_[Cs4Bi4Se4]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.8452]
_cell_length_b [4.8075]
_cell_length_c [8.9145]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.2897]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CsBiSe]
_chemical_formula_sum '[Cs4 Bi4 Se4]'
_cell_volume [537.8799]
_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  4  0.1007  0.0000  0.3464  1.0
  Bi  Bi1  4  0.1689  0.5000  0.9761  1.0
  Se  Se2  4  0.1161  0.5000  0.6725  1.0
]