data_[Nb2Os4Ru2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  Os  2.2000  1.3000  0.6730
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.8638]
_cell_length_b [5.2873]
_cell_length_c [5.5484]
_cell_angle_alpha [74.8449]
_cell_angle_beta [89.8033]
_cell_angle_gamma [62.8501]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [NbOs2Ru]
_chemical_formula_sum '[Nb2 Os4 Ru2]'
_cell_volume [121.4256]
_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
[
  Nb  Nb0  1  0.2947  0.1474  0.4739  1.0
  Nb  Nb1  1  0.7626  0.5987  0.8659  1.0
  Os  Os2  1  0.2347  0.6441  0.1010  1.0
  Os  Os3  1  0.2449  0.6211  0.6046  1.0
  Os  Os4  1  0.3248  0.1216  0.9804  1.0
  Os  Os5  1  0.7337  0.6284  0.3589  1.0
  Ru  Ru6  1  0.8186  0.1223  0.7351  1.0
  Ru  Ru7  1  0.8258  0.1061  0.2389  1.0
]