data_YOsBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.09
_cell_length_b   3.81
_cell_length_c   7.3
_cell_angle_alpha   90.0
_cell_angle_beta   99.83
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YOsBr2
_chemical_formula_sum   'Y1 Os1 Br2'
_cell_volume   112.17
_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
  Y  Y3  1  0.68  0.0  0.36  1.0
  Os  Os2  1  0.66  0.91  0.06  1.0
  Br  Br0  1  0.11  0.91  0.58  1.0
  Br  Br1  1  0.81  0.0  0.79  1.0

data_YOsBr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.81
_cell_length_b   4.09
_cell_length_c   7.3
_cell_angle_alpha   99.83
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YOsBr2
_chemical_formula_sum   'Y1 Os1 Br2'
_cell_volume   112.17
_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
  Y  Y0  1  0.0  0.32  0.64  1.0
  Os  Os1  1  0.09  0.34  0.94  1.0
  Br  Br2  1  0.0  0.19  0.21  1.0
  Br  Br3  1  0.09  0.89  0.42  1.0

Y Os Br Br
Y Os Br Br 0 1 o - o 0 2 + - o 1 3 o + - 2 3 - + o 