data_[Te12Pd4Ru2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Te  2.1000  1.4000  1.2933
  Pd  2.2000  1.4000  0.8462
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [Pnnm]
_cell_length_a [5.2990]
_cell_length_b [7.0788]
_cell_length_c [12.0018]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [58]
_chemical_formula_structural [Te6Pd2Ru]
_chemical_formula_sum '[Te12 Pd4 Ru2]'
_cell_volume [450.1928]
_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
[
  Te  Te0  8  0.2282  0.6822  0.1513  1.0
  Te  Te1  4  0.2317  0.1814  0.0000  1.0
  Pd  Pd2  4  0.0000  0.5000  0.3255  1.0
  Ru  Ru3  2  0.0000  0.0000  0.5000  1.0
]