data_[Ho14Bi4Ir4]
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 [Imm2]
_cell_length_a [3.9143]
_cell_length_b [16.2591]
_cell_length_c [9.4912]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [Ho7(BiIr)2]
_chemical_formula_sum '[Ho14 Bi4 Ir4]'
_cell_volume [604.0566]
_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  0.1533  0.7432  1.0
  Ho  Ho1  4  0.0000  0.1847  0.1020  1.0
  Ho  Ho2  4  0.0000  0.3690  0.8947  1.0
  Ho  Ho3  2  0.0000  0.5000  0.4752  1.0
  Bi  Bi4  2  0.0000  0.0000  0.2354  1.0
  Bi  Bi5  2  0.0000  0.5000  0.1435  1.0
  Ir  Ir6  4  0.0000  0.2588  0.4061  1.0
]