data_YOs2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.1
_cell_length_b   3.73
_cell_length_c   7.53
_cell_angle_alpha   90.0
_cell_angle_beta   100.92
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YOs2Br
_chemical_formula_sum   'Y1 Os2 Br1'
_cell_volume   85.41
_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  0.44  0.86  0.53  1.0
  Os  Os1  1  0.61  0.86  0.72  1.0
  Os  Os2  1  0.04  0.0  0.55  1.0
  Br  Br0  1  0.98  0.0  0.29  1.0

data_YOs2Br
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.1
_cell_length_b   3.73
_cell_length_c   7.53
_cell_angle_alpha   90.0
_cell_angle_beta   100.92
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YOs2Br
_chemical_formula_sum   'Y1 Os2 Br1'
_cell_volume   85.41
_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  0.44  0.86  0.53  1.0
  Os  Os1  1  0.04  0.0  0.55  1.0
  Os  Os2  1  0.61  0.86  0.72  1.0
  Br  Br3  1  0.98  0.0  0.29  1.0

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