data_[Os3Ru1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Os  2.2000  1.3000  0.6730
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [2.7480]
_cell_length_b [4.3467]
_cell_length_c [4.7754]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Os3Ru]
_chemical_formula_sum '[Os3 Ru1]'
_cell_volume [57.0413]
_cell_formula_units_Z [1]
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
[
  Os  Os0  1  0.0000  0.0000  0.0013  1.0
  Ru  Ru1  1  0.0000  0.5000  0.3345  1.0
  Os  Os2  1  0.5000  0.0000  0.4992  1.0
  Os  Os3  1  0.5000  0.5000  0.8317  1.0
]