data_[Pr2Y5Ho12]
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 [P-1]
_cell_length_a [6.2550]
_cell_length_b [8.8238]
_cell_length_c [12.0972]
_cell_angle_alpha [69.4060]
_cell_angle_beta [80.2757]
_cell_angle_gamma [79.3351]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Pr2Y5Ho12]
_chemical_formula_sum '[Pr2 Y5 Ho12]'
_cell_volume [610.2931]
_cell_formula_units_Z [1]
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  2  0.2605  0.9920  0.9377  1
  Y  Y1  2  0.2152  0.8258  0.5121  1
  Y  Y2  2  0.3564  0.3426  0.0079  1
  Y  Y3  1  0.0000  0.5000  0.5000  1
  Ho  Ho4  2  0.0874  0.6238  0.1648  1
  Ho  Ho5  2  0.1648  0.7074  0.8215  1
  Ho  Ho6  2  0.2323  0.9617  0.2165  1
  Ho  Ho7  2  0.2712  0.1024  0.6403  1
  Ho  Ho8  2  0.3123  0.2395  0.3341  1
  Ho  Ho9  2  0.4594  0.4244  0.6741  1
]