data_[Y4Sc16Tc2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Sc  1.3600  1.6000  0.8850
  Tc  1.9000  1.3500  0.7417
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.0445]
_cell_length_b [5.0666]
_cell_length_c [6.3278]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.8227]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Y2Sc8Tc]
_chemical_formula_sum '[Y4 Sc16 Tc2]'
_cell_volume [543.6364]
_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
[
  Y  Y0  4  0.2195  0.0000  0.6621  1
  Sc  Sc1  4  0.0277  0.0000  0.7692  1
  Sc  Sc2  4  0.0830  0.5000  0.3867  1
  Sc  Sc3  4  0.1422  0.5000  0.8913  1
  Sc  Sc4  4  0.1591  0.0000  0.1565  1
  Tc  Tc5  2  0.0000  0.5000  0.0000  1
]