data_[Te12Ru9]
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 [R-3m]
_cell_length_a [3.9749]
_cell_length_b [3.9749]
_cell_length_c [36.6096]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Te4Ru3]
_chemical_formula_sum '[Te12 Ru9]'
_cell_volume [500.9370]
_cell_formula_units_Z [3]
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  6  0.0000  0.0000  0.5522  1
  Te  Te1  6  0.0000  0.0000  0.7049  1
  Ru  Ru2  6  0.0000  0.0000  0.1558  1
  Ru  Ru3  3  -0.0000  -0.0000  0.0000  1
]