data_InOs2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.53
_cell_length_b   6.53
_cell_length_c   6.53
_cell_angle_alpha   154.31
_cell_angle_beta   139.71
_cell_angle_gamma   48.4
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InOs2Br
_chemical_formula_sum   'In1 Os2 Br1'
_cell_volume   77.69
_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
  In  In1  1  0.0  0.25  0.4  1.0
  Os  Os2  1  0.0  0.0  0.29  1.0
  Os  Os3  1  0.45  0.0  0.37  1.0
  Br  Br0  1  0.0  0.0  0.85  1.0

data_InOs2Br
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.9
_cell_length_b   4.5
_cell_length_c   6.53
_cell_angle_alpha   110.15
_cell_angle_beta   102.85
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InOs2Br
_chemical_formula_sum   'In1 Os2 Br1'
_cell_volume   77.69
_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
  In  In0  1  0.75  0.15  0.15  1.0
  Os  Os1  1  0.0  0.29  0.29  1.0
  Os  Os2  1  0.0  0.37  0.92  1.0
  Br  Br3  1  0.0  0.85  0.85  1.0

In Os Os Br