data_[Sb2Te2Ru2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sb  2.0500  1.4500  0.8300
  Te  2.1000  1.4000  1.2933
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [5.6399]
_cell_length_b [3.6968]
_cell_length_c [6.5841]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.0391]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [SbTeRu]
_chemical_formula_sum '[Sb2 Te2 Ru2]'
_cell_volume [137.2537]
_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
[
  Sb  Sb0  2  0.1977  0.0000  0.6390  1
  Te  Te1  2  0.2931  0.5000  0.1407  1
  Ru  Ru2  1  0.0000  0.0000  0.0000  1
  Ru  Ru3  1  0.5000  0.5000  0.5000  1
]