data_[Sb4Te4Ru4]
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_1/c]
_cell_length_a [6.6937]
_cell_length_b [6.6048]
_cell_length_c [6.7565]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.2095]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [SbTeRu]
_chemical_formula_sum '[Sb4 Te4 Ru4]'
_cell_volume [272.4359]
_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
[
  Sb  Sb0  4  0.1403  0.6411  0.3829  1.0
  Te  Te1  4  0.3463  0.1353  0.6811  1.0
  Ru  Ru2  4  0.2769  0.5006  0.7946  1.0
]