data_[Pr1Y3Tm7]
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 [P2/m]
_cell_length_a [6.9319]
_cell_length_b [5.4981]
_cell_length_c [9.8632]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.9062]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [PrY3Tm7]
_chemical_formula_sum '[Pr1 Y3 Tm7]'
_cell_volume [353.4536]
_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  0.5000  0.0000  0.5000  1
  Y  Y1  2  0.2231  0.5000  0.0036  1
  Y  Y2  1  0.0000  0.0000  0.5000  1
  Tm  Tm3  2  0.0759  0.0000  0.1681  1
  Tm  Tm4  2  0.1753  0.5000  0.3564  1
  Tm  Tm5  2  0.3514  0.5000  0.7089  1
  Tm  Tm6  1  0.5000  0.0000  0.0000  1
]