data_[In2Os6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [5.5793]
_cell_length_b [7.9667]
_cell_length_c [2.8121]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [InOs3]
_chemical_formula_sum '[In2 Os6]'
_cell_volume [124.9944]
_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
[
  In  In0  2  0.0000  0.0000  0.0000  1
  Os  Os1  4  0.2500  0.2500  0.5000  1
  Os  Os2  2  0.0000  0.5000  0.0000  1
]