data_[Ho6Bi2Ir2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Bi  2.0200  1.6000  1.0350
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [4.3709]
_cell_length_b [6.8717]
_cell_length_c [9.2928]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [Ho3BiIr]
_chemical_formula_sum '[Ho6 Bi2 Ir2]'
_cell_volume [279.1127]
_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  0.0000  0.2483  0.3515  1.0
  Ho  Ho1  2  0.0000  0.0000  0.9056  1.0
  Bi  Bi2  2  0.0000  0.5000  0.8557  1.0
  Ir  Ir3  2  0.0000  0.0000  0.6014  1.0
]