data_[K4Ho4Cd4Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  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 [Pnma]
_cell_length_a [12.2123]
_cell_length_b [4.2675]
_cell_length_c [13.0125]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [KHoCdSe3]
_chemical_formula_sum '[K4 Ho4 Cd4 Se12]'
_cell_volume [678.1655]
_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
[
  K  K0  4  0.1573  0.2500  0.4903  1
  Ho  Ho1  4  0.0353  0.2500  0.1691  1
  Cd  Cd2  4  0.2392  0.2500  0.7836  1
  Se  Se3  4  0.0450  0.7500  0.3236  1
  Se  Se4  4  0.0881  0.2500  0.9296  1
  Se  Se5  4  0.2335  0.7500  0.6615  1
]