data_[Tb8Pr2Sm6]
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 [Pmn2_1]
_cell_length_a [11.6297]
_cell_length_b [7.3032]
_cell_length_c [6.3329]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Tb4PrSm3]
_chemical_formula_sum '[Tb8 Pr2 Sm6]'
_cell_volume [537.8762]
_cell_formula_units_Z [2]
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  4  0.2491  0.1227  0.5193  1.0
  Tb  Tb1  2  0.0000  0.1227  0.8516  1.0
  Tb  Tb2  2  0.0000  0.8777  0.3516  1.0
  Pr  Pr3  2  0.0000  0.6261  0.8533  1.0
  Sm  Sm4  4  0.2498  0.6274  0.5185  1.0
  Sm  Sm5  2  0.0000  0.3727  0.3527  1.0
]