data_[Re2Os12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Re  1.9000  1.3500  0.7125
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.6525]
_cell_length_b [3.8650]
_cell_length_c [6.1022]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.0515]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [ReOs6]
_chemical_formula_sum '[Re2 Os12]'
_cell_volume [202.0587]
_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
[
  Re  Re0  2  0.0000  0.5000  0.0000  1
  Os  Os1  4  0.0718  0.0000  0.7148  1
  Os  Os2  4  0.1427  0.5000  0.4272  1
  Os  Os3  4  0.2144  0.0000  0.1440  1
]