data_Y2OsBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.43
_cell_length_b   3.43
_cell_length_c   9.09
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.55
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2OsBr
_chemical_formula_sum   'Y2 Os1 Br1'
_cell_volume   106.68
_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  Y2  1  0.0  0.0  0.44  1.0
  Y  Y3  1  0.39  0.0  0.51  1.0
  Os  Os1  1  0.39  0.0  0.87  1.0
  Br  Br0  1  0.0  0.0  0.81  1.0

data_Y2OsBr
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.43
_cell_length_b   3.43
_cell_length_c   9.09
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Y2OsBr
_chemical_formula_sum   'Y2 Os1 Br1'
_cell_volume   106.72
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.0  0.44  1.0
  Y  Y1  1  0.39  0.0  0.51  1.0
  Os  Os2  1  0.39  0.0  0.87  1.0
  Br  Br3  1  0.0  0.0  0.81  1.0

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