data_[Ba2Os2Ru2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Os  2.2000  1.3000  0.6730
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.5563]
_cell_length_b [4.5605]
_cell_length_c [7.8469]
_cell_angle_alpha [89.9854]
_cell_angle_beta [89.9102]
_cell_angle_gamma [81.7521]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [BaOsRu]
_chemical_formula_sum '[Ba2 Os2 Ru2]'
_cell_volume [161.3628]
_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
[
  Ba  Ba0  1  0.0458  0.3875  0.5031  1
  Ba  Ba1  1  0.5334  0.8753  0.8471  1
  Ru  Ru2  1  0.0110  0.9092  0.1743  1
  Os  Os3  1  0.0711  0.4155  0.0479  1
  Ru  Ru4  1  0.5054  0.8497  0.3055  1
  Os  Os5  1  0.5658  0.3545  0.1747  1
]