data_[Cs12Ho4Bi8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Ho  1.2300  1.7500  1.0410
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [21.5485]
_cell_length_b [5.5137]
_cell_length_c [11.4756]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.9748]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs3HoBi2]
_chemical_formula_sum '[Cs12 Ho4 Bi8]'
_cell_volume [1304.0387]
_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  0.0608  0.0000  0.1806  1
  Cs  Cs1  4  0.1831  0.5000  0.0523  1
  Cs  Cs2  4  0.2028  0.0000  0.5764  1
  Ho  Ho3  4  0.0600  0.5000  0.6645  1
  Bi  Bi4  4  0.0902  0.5000  0.4163  1
  Bi  Bi5  4  0.1142  0.0000  0.8160  1
]