data_[Tb2Sc10In8]
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 [Pmmn]
_cell_length_a [8.1187]
_cell_length_b [9.4661]
_cell_length_c [7.1413]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [TbSc5In4]
_chemical_formula_sum '[Tb2 Sc10 In8]'
_cell_volume [548.8305]
_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  0.4740  1
  Sc  Sc1  8  0.2198  0.2453  0.7759  1
  Sc  Sc2  2  0.0000  0.5000  0.0942  1
  In  In3  4  0.0000  0.3463  0.4747  1
  In  In4  4  0.1695  0.0000  0.0311  1
]