data_[Tb4Sc12In4]
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 [C2/m]
_cell_length_a [11.3278]
_cell_length_b [5.1882]
_cell_length_c [9.2409]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.7451]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TbSc3In]
_chemical_formula_sum '[Tb4 Sc12 In4]'
_cell_volume [514.2880]
_cell_formula_units_Z [4]
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  0.0572  0.5000  0.3553  1.0
  Sc  Sc1  4  0.1412  0.0000  0.5973  1.0
  Sc  Sc2  4  0.1591  0.5000  0.0369  1.0
  Sc  Sc3  4  0.2216  0.0000  0.2657  1.0
  In  In4  4  0.0586  0.0000  0.8764  1.0
]