data_[Pr4Ho12Ir4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Ho  1.2300  1.7500  1.0410
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.9371]
_cell_length_b [7.4209]
_cell_length_c [10.1143]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.6213]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [PrHo3Ir]
_chemical_formula_sum '[Pr4 Ho12 Ir4]'
_cell_volume [570.8526]
_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
[
  Pr  Pr0  4  0.3134  0.5430  0.2453  1
  Ho  Ho1  4  0.0896  0.6267  0.8955  1
  Ho  Ho2  4  0.2076  0.0100  0.1184  1
  Ho  Ho3  4  0.4256  0.2051  0.4694  1
  Ir  Ir4  4  0.0585  0.2447  0.8941  1
]