data_[Re3Os3]
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 [P4mm]
_cell_length_a [3.2747]
_cell_length_b [3.2747]
_cell_length_c [8.4036]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [99]
_chemical_formula_structural [ReOs]
_chemical_formula_sum '[Re3 Os3]'
_cell_volume [90.1185]
_cell_formula_units_Z [3]
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  1  0.0000  0.0000  0.3298  1
  Re  Re1  1  0.0000  0.0000  0.6674  1
  Re  Re2  1  0.5000  0.5000  0.8355  1
  Os  Os3  1  0.0000  0.0000  0.9996  1
  Os  Os4  1  0.5000  0.5000  0.1688  1
  Os  Os5  1  0.5000  0.5000  0.4988  1
]