data_[Os2Br6N2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Os  2.2000  1.3000  0.6730
  Br  2.9600  1.1500  0.8825
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [19.5431]
_cell_length_b [4.9236]
_cell_length_c [12.3397]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [OsBr3N]
_chemical_formula_sum '[Os2 Br6 N2]'
_cell_volume [1187.3643]
_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
[
  Os  Os0  2  0.5000  0.0000  0.6248  1
  Br  Br1  4  0.3838  0.0000  0.6974  1
  Br  Br2  2  0.5000  0.0000  0.1896  1
  N  N3  2  0.5000  0.0000  0.4910  1
]