data_[Te8Ru4]
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 [13.1638]
_cell_length_b [3.8530]
_cell_length_c [6.1703]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.2656]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Te2Ru]
_chemical_formula_sum '[Te8 Ru4]'
_cell_volume [306.9307]
_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
[
  Te  Te0  4  0.1093  0.5000  0.3437  1.0
  Te  Te1  4  0.1502  0.0000  0.8665  1.0
  Ru  Ru2  4  0.2470  0.0000  0.3056  1.0
]