data_[Si1Os1Br2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Si  1.9000  1.1000  0.5400
  Os  2.2000  1.3000  0.6730
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [4.8889]
_cell_length_b [3.7315]
_cell_length_c [5.6531]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.0115]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [SiOsBr2]
_chemical_formula_sum '[Si1 Os1 Br2]'
_cell_volume [99.6095]
_cell_formula_units_Z [1]
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
[
  Si  Si0  1  0.5706  0.5000  0.3067  1
  Os  Os1  1  0.5404  0.0000  0.0777  1
  Br  Br2  1  0.0013  0.0000  0.9580  1
  Br  Br3  1  0.3876  0.5000  0.6576  1
]