data_[Tb6Sm8In2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Sm  1.1700  1.8500  1.2290
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [11.3296]
_cell_length_b [7.1361]
_cell_length_c [6.2359]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Tb3Sm4In]
_chemical_formula_sum '[Tb6 Sm8 In2]'
_cell_volume [504.1644]
_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  0.2447  0.6160  0.9718  1.0
  Tb  Tb1  2  0.0000  0.6286  0.6443  1.0
  Sm  Sm2  4  0.2318  0.1312  0.9898  1.0
  Sm  Sm3  2  0.0000  0.1326  0.6266  1.0
  Sm  Sm4  2  0.0000  0.8711  0.1708  1.0
  In  In5  2  0.0000  0.3872  0.1504  1.0
]