data_[Tb2Sc2In8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Sc  1.3600  1.6000  0.8850
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.5908]
_cell_length_b [4.5558]
_cell_length_c [13.9683]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [TbScIn4]
_chemical_formula_sum '[Tb2 Sc2 In8]'
_cell_volume [292.1477]
_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  2  0.0000  0.0000  0.3446  1
  Sc  Sc1  2  0.0000  0.0000  0.6548  1
  In  In2  2  0.0000  0.0000  0.0051  1
  In  In3  2  0.5000  0.0000  0.1717  1
  In  In4  2  0.5000  0.0000  0.5039  1
  In  In5  2  0.5000  0.0000  0.8199  1
]