data_[Pr20Y8Tm12]
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/c]
_cell_length_a [10.7349]
_cell_length_b [14.8104]
_cell_length_c [10.1613]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.8759]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Pr5Y2Tm3]
_chemical_formula_sum '[Pr20 Y8 Tm12]'
_cell_volume [1371.8945]
_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  8  0.2479  0.1201  0.2482  1
  Pr  Pr1  4  0.0000  0.2301  0.7500  1
  Pr  Pr2  4  0.0000  0.2700  0.2500  1
  Pr  Pr3  4  0.0000  0.4812  0.2500  1
  Y  Y4  8  0.1542  0.1209  0.5587  1
  Tm  Tm5  8  0.1563  0.3758  0.0600  1
  Tm  Tm6  4  0.0000  0.0218  0.7500  1
]