data_[Tb8Sm6In2]
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 [11.3151]
_cell_length_b [7.1072]
_cell_length_c [6.2275]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Tb4Sm3In]
_chemical_formula_sum '[Tb8 Sm6 In2]'
_cell_volume [500.8027]
_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  0.2370  0.1261  0.9905  1.0
  Tb  Tb1  2  0.0000  0.1297  0.6405  1.0
  Tb  Tb2  2  0.0000  0.8754  0.1671  1.0
  Sm  Sm3  4  0.2408  0.6162  0.9723  1.0
  Sm  Sm4  2  0.0000  0.6283  0.6318  1.0
  In  In5  2  0.0000  0.3704  0.1503  1.0
]