data_[Tb2Pm5Y12]
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 [6.0817]
_cell_length_b [9.7897]
_cell_length_c [11.3688]
_cell_angle_alpha [69.9242]
_cell_angle_beta [82.7387]
_cell_angle_gamma [88.5394]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Tb2Pm5Y12]
_chemical_formula_sum '[Tb2 Pm5 Y12]'
_cell_volume [630.5339]
_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  0.2840  0.0692  0.9190  1
  Pm  Pm1  2  0.0821  0.8119  0.5433  1
  Pm  Pm2  2  0.4277  0.6826  0.9848  1
  Pm  Pm3  1  0.0000  0.5000  0.5000  1
  Y  Y4  2  0.0414  0.1841  0.1568  1
  Y  Y5  2  0.1028  0.4620  0.8458  1
  Y  Y6  2  0.1655  0.8156  0.2246  1
  Y  Y7  2  0.3857  0.4029  0.2879  1
  Y  Y8  2  0.4238  0.3214  0.6059  1
  Y  Y9  2  0.4955  0.9566  0.6670  1
]