data_[Ho12Ir2Se10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Ir  2.2000  1.3500  0.7650
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.1194]
_cell_length_b [12.3285]
_cell_length_c [7.0791]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.6753]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ho6IrSe5]
_chemical_formula_sum '[Ho12 Ir2 Se10]'
_cell_volume [585.0625]
_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
[
  Ho  Ho0  8  0.2329  0.1565  0.2341  1
  Ho  Ho1  4  0.2321  0.0000  0.7612  1
  Ir  Ir2  2  0.0000  0.0000  0.0000  1
  Se  Se3  4  0.0000  0.1766  0.5000  1
  Se  Se4  4  0.0000  0.3349  0.0000  1
  Se  Se5  2  0.0000  0.5000  0.5000  1
]