data_Ga2OsCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.72
_cell_length_b   5.15
_cell_length_c   2.8
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga2OsCl
_chemical_formula_sum   'Ga2 Os1 Cl1'
_cell_volume   67.98
_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
  Ga  Ga1  1  0.0  0.57  0.68  1.0
  Ga  Ga2  1  0.36  0.0  0.6  1.0
  Os  Os3  1  0.36  0.57  0.28  1.0
  Cl  Cl0  1  0.0  0.0  0.44  1.0

data_Ga2OsCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.8
_cell_length_b   4.72
_cell_length_c   5.15
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga2OsCl
_chemical_formula_sum   'Ga2 Os1 Cl1'
_cell_volume   67.98
_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
  Ga  Ga0  1  0.6  0.36  0.0  1.0
  Ga  Ga1  1  0.68  0.0  0.57  1.0
  Os  Os2  1  0.28  0.36  0.57  1.0
  Cl  Cl3  1  0.44  0.0  0.0  1.0

Ga Ga Os Cl
Ga Ga Os Cl 0 3 o + o 0 2 o o o 0 2 o o + 1 3 o o o 1 2 o - o 