data_[Os1Se3Br1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Os  2.2000  1.3000  0.6730
  Se  2.5500  1.1500  1.0133
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [7.0330]
_cell_length_b [3.5676]
_cell_length_c [18.7439]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [OsSe3Br]
_chemical_formula_sum '[Os1 Se3 Br1]'
_cell_volume [470.3066]
_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
[
  Os  Os0  1  0.2865  0.0000  0.5492  1
  Se  Se1  1  0.3170  0.0000  0.4239  1
  Se  Se2  1  0.4858  0.5000  0.5805  1
  Se  Se3  1  0.6127  0.0000  0.3808  1
  Br  Br4  1  0.0168  0.5000  0.5655  1
]