data_[Sb2As2Ru2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sb  2.0500  1.4500  0.8300
  As  2.1800  1.1500  0.6600
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [5.7934]
_cell_length_b [3.1333]
_cell_length_c [6.5326]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.7726]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [SbAsRu]
_chemical_formula_sum '[Sb2 As2 Ru2]'
_cell_volume [118.4454]
_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  0.1835  0.0000  0.6460  1.0
  As  As1  2  0.3227  0.5000  0.1352  1.0
  Ru  Ru2  1  0.0000  0.0000  0.0000  1.0
  Ru  Ru3  1  0.5000  0.5000  0.5000  1.0
]