data_[Tb3Pr1Sm7]
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 [7.1861]
_cell_length_b [7.1861]
_cell_length_c [8.6924]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [Tb3PrSm7]
_chemical_formula_sum '[Tb3 Pr1 Sm7]'
_cell_volume [388.7442]
_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  0.5004  0.0008  0.2160  1
  Pr  Pr1  1  0.3333  0.6667  0.5568  1
  Sm  Sm2  3  0.1673  0.3346  0.8879  1
  Sm  Sm3  3  0.3350  0.1675  0.5463  1
  Sm  Sm4  1  0.6667  0.3333  0.8776  1
]