data_[Te12Ru6]
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 [C2/m]
_cell_length_a [19.8432]
_cell_length_b [4.0919]
_cell_length_c [5.4474]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.3020]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Te2Ru]
_chemical_formula_sum '[Te12 Ru6]'
_cell_volume [439.6432]
_cell_formula_units_Z [6]
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  4  0.0419  0.5000  0.7934  1.0
  Te  Te1  4  0.1210  0.0000  0.3220  1.0
  Te  Te2  4  0.2042  0.0000  0.8048  1.0
  Ru  Ru3  4  0.1599  0.5000  0.0564  1.0
  Ru  Ru4  2  0.0000  0.0000  0.5000  1.0
]