data_[Pr1Y7Tm2]
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
  Tm  1.2500  1.7500  1.0950
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.1788]
_cell_length_b [7.1448]
_cell_length_c [7.9737]
_cell_angle_alpha [103.0104]
_cell_angle_beta [97.3087]
_cell_angle_gamma [106.7514]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [PrY7Tm2]
_chemical_formula_sum '[Pr1 Y7 Tm2]'
_cell_volume [321.3805]
_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  0.0000  1
  Y  Y1  2  0.2003  0.8997  0.3996  1
  Y  Y2  2  0.2021  0.4010  0.4009  1
  Y  Y3  2  0.3992  0.7992  0.8001  1
  Y  Y4  1  0.0000  0.5000  0.0000  1
  Tm  Tm5  2  0.4001  0.3007  0.8001  1
]