data_[Tb3Pm7Nd1]
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
  Nd  1.1400  1.8500  1.2765
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [7.2094]
_cell_length_b [7.2094]
_cell_length_c [8.7021]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [Tb3Pm7Nd]
_chemical_formula_sum '[Tb3 Pm7 Nd1]'
_cell_volume [391.7023]
_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  3  0.1668  0.3336  0.7835  1
  Pm  Pm1  3  0.0012  0.5006  0.4552  1
  Pm  Pm2  3  0.3323  0.1661  0.1110  1
  Pm  Pm3  1  0.3333  0.6667  0.1232  1
  Nd  Nd4  1  0.0000  0.0000  0.4428  1
]