data_[Tb12Sm2In1]
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 [Pmmm]
_cell_length_a [3.5720]
_cell_length_b [5.6773]
_cell_length_c [24.2493]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [47]
_chemical_formula_structural [Tb12Sm2In]
_chemical_formula_sum '[Tb12 Sm2 In1]'
_cell_volume [491.7538]
_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  2  0.0000  0.0000  0.1928  1
  Tb  Tb1  2  0.0000  0.0000  0.3233  1
  Tb  Tb2  2  0.0000  0.5000  0.1181  1
  Tb  Tb3  2  0.0000  0.5000  0.4133  1
  Tb  Tb4  2  0.5000  0.0000  0.0718  1
  Tb  Tb5  2  0.5000  0.0000  0.4365  1
  Sm  Sm6  2  0.5000  0.5000  0.2615  1
  In  In7  1  0.5000  0.5000  0.0000  1
]