data_[Sc12Cu6Tc2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Cu  1.9000  1.3500  0.8200
  Tc  1.9000  1.3500  0.7417
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.1028]
_cell_length_b [4.7013]
_cell_length_c [10.4066]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.1562]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Sc6Cu3Tc]
_chemical_formula_sum '[Sc12 Cu6 Tc2]'
_cell_volume [374.4755]
_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
[
  Sc  Sc0  2  0.1028  0.7500  0.1474  1
  Sc  Sc1  2  0.1339  0.7500  0.8668  1
  Sc  Sc2  2  0.1529  0.2500  0.6677  1
  Sc  Sc3  2  0.2408  0.7500  0.4870  1
  Sc  Sc4  2  0.3312  0.2500  0.3092  1
  Sc  Sc5  2  0.4859  0.7500  0.1049  1
  Tc  Tc6  2  0.0414  0.2500  0.3947  1
  Cu  Cu7  2  0.2414  0.2500  0.0280  1
  Cu  Cu8  2  0.3850  0.7500  0.7613  1
  Cu  Cu9  2  0.4658  0.2500  0.6171  1
]