data_[Pr1Y6Tm1]
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 [6.5855]
_cell_length_b [6.7933]
_cell_length_c [6.9557]
_cell_angle_alpha [118.5123]
_cell_angle_beta [103.1010]
_cell_angle_gamma [90.2723]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [PrY6Tm]
_chemical_formula_sum '[Pr1 Y6 Tm1]'
_cell_volume [263.9905]
_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  0.2346  0.5789  0.4872  1
  Y  Y2  2  0.2539  0.5487  0.0042  1
  Y  Y3  2  0.2721  0.0957  0.5279  1
  Tm  Tm4  1  0.5000  0.0000  0.0000  1
]