data_[Cs6Ho4Bi2Se12]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.4534]
_cell_length_b [12.9080]
_cell_length_c [8.7189]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.5413]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs3Ho2BiSe6]
_chemical_formula_sum '[Cs6 Ho4 Bi2 Se12]'
_cell_volume [804.1116]
_cell_formula_units_Z [2]
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  0.0000  0.1643  0.5000  1
  Cs  Cs1  2  0.0000  0.5000  0.5000  1
  Ho  Ho2  4  0.0000  0.3331  0.0000  1
  Bi  Bi3  2  0.0000  0.0000  0.0000  1
  Se  Se4  8  0.2335  0.1712  0.1869  1
  Se  Se5  4  0.2196  0.5000  0.1861  1
]