data_[Pr8Y2Ho12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Y  1.2200  1.8000  1.0400
  Ho  1.2300  1.7500  1.0410
]
_symmetry_space_group_name_H-M [I-42m]
_cell_length_a [6.6939]
_cell_length_b [6.6939]
_cell_length_c [17.0592]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [121]
_chemical_formula_structural [Pr4YHo6]
_chemical_formula_sum '[Pr8 Y2 Ho12]'
_cell_volume [764.3923]
_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  8  0.1902  0.1902  0.8236  1
  Y  Y1  2  0.0000  0.0000  0.0000  1
  Ho  Ho2  8  0.1774  0.1774  0.6231  1
  Ho  Ho3  4  0.0000  0.5000  0.0000  1
]