data_[Tb5Pm2Y12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Pm  1.1300  1.8500  1.1100
  Y  1.2200  1.8000  1.0400
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.7624]
_cell_length_b [8.8532]
_cell_length_c [11.4365]
_cell_angle_alpha [110.9616]
_cell_angle_beta [92.3485]
_cell_angle_gamma [100.4675]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Tb5(PmY6)2]
_chemical_formula_sum '[Tb5 Pm2 Y12]'
_cell_volume [624.5385]
_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
[
  Tb  Tb0  2  0.3436  0.6156  0.9303  1
  Tb  Tb1  2  0.4568  0.8175  0.5376  1
  Tb  Tb2  1  0.0000  0.0000  0.5000  1
  Pm  Pm3  2  0.1210  0.2643  0.0139  1
  Y  Y4  2  0.1088  0.6925  0.2236  1
  Y  Y5  2  0.1171  0.8533  0.7644  1
  Y  Y6  2  0.1616  0.4429  0.5855  1
  Y  Y7  2  0.3375  0.4289  0.3124  1
  Y  Y8  2  0.3476  0.0244  0.1335  1
  Y  Y9  2  0.3843  0.2191  0.7532  1
]