data_[Pr4Ho6Bi4]
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
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.4863]
_cell_length_b [4.3646]
_cell_length_c [8.8886]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.3393]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr2Ho3Bi2]
_chemical_formula_sum '[Pr4 Ho6 Bi4]'
_cell_volume [454.2025]
_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
[
  Pr  Pr0  4  0.1292  0.0000  0.7853  1.0
  Ho  Ho1  4  0.1236  0.5000  0.4477  1.0
  Ho  Ho2  2  0.0000  0.5000  0.0000  1.0
  Bi  Bi3  4  0.1695  0.0000  0.2005  1.0
]