data_[Sb4P2Ru2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sb  2.0500  1.4500  0.8300
  P  2.1900  1.0000  0.5500
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.2920]
_cell_length_b [7.5597]
_cell_length_c [3.3336]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.1785]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sb2PRu]
_chemical_formula_sum '[Sb4 P2 Ru2]'
_cell_volume [154.3905]
_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  4  0.2500  0.2500  0.0000  1
  P  P1  2  0.0000  0.0000  0.5000  1
  Ru  Ru2  2  0.0000  0.5000  0.5000  1
]