data_[Te40Ru24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Te  2.1000  1.4000  1.2933
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [Fmm2]
_cell_length_a [6.9145]
_cell_length_b [15.0257]
_cell_length_c [14.5916]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [42]
_chemical_formula_structural [Te5Ru3]
_chemical_formula_sum '[Te40 Ru24]'
_cell_volume [1515.9951]
_cell_formula_units_Z [8]
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
[
  Te  Te0  8  0.0000  0.1147  0.8092  1
  Te  Te1  8  0.0000  0.1220  0.1769  1
  Te  Te2  8  0.0000  0.1782  0.6153  1
  Te  Te3  8  0.0000  0.1825  0.3806  1
  Te  Te4  8  0.2448  0.0000  0.5109  1
  Ru  Ru5  8  0.0000  0.1237  0.9935  1
  Ru  Ru6  8  0.2500  0.2500  0.2424  1
  Ru  Ru7  4  0.0000  0.0000  0.3791  1
  Ru  Ru8  4  0.0000  0.0000  0.6647  1
]