data_[Sc12In8Tc4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  In  1.7800  1.5500  0.9400
  Tc  1.9000  1.3500  0.7417
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [4.8418]
_cell_length_b [14.4212]
_cell_length_c [7.0688]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Sc3In2Tc]
_chemical_formula_sum '[Sc12 In8 Tc4]'
_cell_volume [493.5788]
_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
[
  Sc  Sc0  8  0.0000  0.1757  0.2188  1
  Sc  Sc1  4  0.0000  0.5000  0.2317  1
  In  In2  4  0.0000  0.3358  0.5000  1
  In  In3  2  0.0000  0.0000  0.0000  1
  In  In4  2  0.0000  0.0000  0.5000  1
  Tc  Tc5  4  0.0000  0.3368  0.0000  1
]