data_[Tb7Pr3Sm1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Pr  1.1300  1.8500  1.0600
  Sm  1.1700  1.8500  1.2290
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [7.1320]
_cell_length_b [7.1320]
_cell_length_c [8.7731]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [Tb7Pr3Sm]
_chemical_formula_sum '[Tb7 Pr3 Sm1]'
_cell_volume [386.4610]
_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  0.1673  0.3346  0.8795  1
  Tb  Tb1  3  0.3350  0.1675  0.5548  1
  Tb  Tb2  1  0.6667  0.3333  0.8766  1
  Pr  Pr3  3  0.5002  0.0004  0.2163  1
  Sm  Sm4  1  0.3333  0.6667  0.5566  1
]