data_[Tb7Pm4Th1]
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
  Th  1.3000  1.8000  1.0800
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [3.5967]
_cell_length_b [3.5967]
_cell_length_c [35.0878]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Tb7Pm4Th]
_chemical_formula_sum '[Tb7 Pm4 Th1]'
_cell_volume [393.0862]
_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  0.0000  0.0000  0.2504  1
  Tb  Tb1  2  0.3333  0.6667  0.1678  1
  Tb  Tb2  2  0.3333  0.6667  0.4197  1
  Tb  Tb3  1  0.0000  0.0000  0.0000  1
  Pm  Pm4  2  0.3333  0.6667  0.6664  1
  Pm  Pm5  2  0.3333  0.6667  0.9162  1
  Th  Th6  1  0.0000  0.0000  0.5000  1
]