data_[Pr4Y4Tm12]
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 [Cmc2_1]
_cell_length_a [5.6703]
_cell_length_b [18.6057]
_cell_length_c [6.0663]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [PrYTm3]
_chemical_formula_sum '[Pr4 Y4 Tm12]'
_cell_volume [639.9937]
_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  0.0000  0.3559  0.6147  1
  Y  Y1  4  0.0000  0.0442  0.9835  1
  Tm  Tm2  4  0.0000  0.1480  0.4963  1
  Tm  Tm3  4  0.0000  0.2455  0.0305  1
  Tm  Tm4  4  0.0000  0.4501  0.1251  1
]