data_[Pr1Y6Ho1]
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 [6.2177]
_cell_length_b [6.2266]
_cell_length_c [7.1887]
_cell_angle_alpha [73.1951]
_cell_angle_beta [89.9525]
_cell_angle_gamma [80.3036]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [PrY6Ho]
_chemical_formula_sum '[Pr1 Y6 Ho1]'
_cell_volume [262.2819]
_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  1  0.0000  0.0000  0.5000  1.0
  Y  Y1  2  0.2492  0.5002  0.8757  1.0
  Y  Y2  2  0.2498  0.5021  0.3740  1.0
  Y  Y3  2  0.4996  0.0012  0.2484  1.0
  Ho  Ho4  1  0.0000  0.0000  0.0000  1.0
]