data_YOs2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.25
_cell_length_b   5.25
_cell_length_c   5.25
_cell_angle_alpha   134.0
_cell_angle_beta   134.0
_cell_angle_gamma   67.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YOs2Br
_chemical_formula_sum   'Y1 Os2 Br1'
_cell_volume   73.61
_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  0.0  0.05  0.19  1.0
  Os  Os1  1  0.05  0.0  0.19  1.0
  Os  Os2  1  0.0  0.0  0.37  1.0
  Br  Br0  1  0.0  0.0  0.0  1.0

data_YOs2Br
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.1
_cell_length_b   4.1
_cell_length_c   5.25
_cell_angle_alpha   113.0
_cell_angle_beta   113.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YOs2Br
_chemical_formula_sum   'Y1 Os2 Br1'
_cell_volume   73.61
_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  0.14  0.19  0.14  1.0
  Os  Os1  1  0.19  0.14  0.14  1.0
  Os  Os2  1  0.37  0.37  0.37  1.0
  Br  Br3  1  0.0  0.0  0.0  1.0

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