data_[Cs4Ho4Cd4Se12]
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
  Cd  1.6900  1.5500  1.0900
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.0380]
_cell_length_b [4.2885]
_cell_length_c [9.6149]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.5453]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CsHoCdSe3]
_chemical_formula_sum '[Cs4 Ho4 Cd4 Se12]'
_cell_volume [728.7283]
_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  0.1519  0.0000  0.0585  1
  Ho  Ho1  4  0.1678  0.0000  0.5711  1
  Cd  Cd2  4  0.0036  0.5000  0.7189  1
  Se  Se3  4  0.1575  0.5000  0.7586  1
  Se  Se4  4  0.1690  0.5000  0.3694  1
  Se  Se5  2  0.0000  0.0000  0.5000  1
  Se  Se6  2  0.0000  0.5000  0.0000  1
]