data_[Tc4Sb16Ru4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tc  1.9000  1.3500  0.7417
  Sb  2.0500  1.4500  0.8300
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.5587]
_cell_length_b [14.6403]
_cell_length_c [5.9667]
_cell_angle_alpha [90.0000]
_cell_angle_beta [134.0342]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [TcSb4Ru]
_chemical_formula_sum '[Tc4 Sb16 Ru4]'
_cell_volume [537.4938]
_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
[
  Tc  Tc0  4  0.0000  0.4583  0.7500  1
  Sb  Sb1  8  0.1838  0.6898  0.2356  1
  Sb  Sb2  8  0.1894  0.0586  0.6337  1
  Ru  Ru3  4  0.0000  0.2031  0.2500  1
]