data_[Pr6Y6Ho4]
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 [C2/m]
_cell_length_a [16.5112]
_cell_length_b [5.7522]
_cell_length_c [6.0531]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.8010]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr3Y3Ho2]
_chemical_formula_sum '[Pr6 Y6 Ho4]'
_cell_volume [540.9095]
_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  0.1361  0.0000  0.6975  1
  Pr  Pr1  2  0.0000  0.0000  0.0000  1
  Y  Y2  4  0.1335  0.5000  0.0834  1
  Y  Y3  2  0.0000  0.5000  0.5000  1
  Ho  Ho4  4  0.2497  0.0000  0.3181  1
]