data_[Ho12Te2Ir4Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Te  2.1000  1.4000  1.2933
  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 [18.5168]
_cell_length_b [4.1317]
_cell_length_c [8.1863]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.6307]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ho6TeIr2Se3]
_chemical_formula_sum '[Ho12 Te2 Ir4 Se6]'
_cell_volume [596.8888]
_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  4  0.0252  0.0000  0.2786  1
  Ho  Ho1  4  0.1622  0.5000  0.6069  1
  Ho  Ho2  4  0.1786  0.5000  0.1640  1
  Te  Te3  2  0.0000  0.5000  0.0000  1
  Ir  Ir4  4  0.1860  0.0000  0.4024  1
  Se  Se5  4  0.1580  0.0000  0.8693  1
  Se  Se6  2  0.0000  0.5000  0.5000  1
]