data_[Pr4Y12Tm20]
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 [C2/m]
_cell_length_a [16.7576]
_cell_length_b [7.9022]
_cell_length_c [12.1922]
_cell_angle_alpha [90.0000]
_cell_angle_beta [130.4490]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PrY3Tm5]
_chemical_formula_sum '[Pr4 Y12 Tm20]'
_cell_volume [1228.6218]
_cell_formula_units_Z [4]
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  0.2369  0.0000  0.1293  1
  Y  Y1  4  0.1207  0.5000  0.3121  1
  Y  Y2  4  0.1745  0.0000  0.3431  1
  Y  Y3  2  0.0000  0.0000  0.0000  1
  Y  Y4  2  0.0000  0.5000  0.5000  1
  Tm  Tm5  8  0.0650  0.2058  0.7814  1
  Tm  Tm6  4  0.0000  0.3216  0.0000  1
  Tm  Tm7  4  0.1204  0.0000  0.5641  1
  Tm  Tm8  4  0.2013  0.5000  0.0741  1
]