data_CuOsCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.22
_cell_length_b   7.22
_cell_length_c   7.22
_cell_angle_alpha   156.63
_cell_angle_beta   144.17
_cell_angle_gamma   43.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuOsCl2
_chemical_formula_sum   'Cu1 Os1 Cl2'
_cell_volume   87.11
_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
  Cu  Cu2  1  0.0  0.0  0.0  1.0
  Os  Os3  1  0.0  0.0  0.71  1.0
  Cl  Cl0  1  0.46  0.0  0.8  1.0
  Cl  Cl1  1  0.0  0.22  0.91  1.0

data_CuOsCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.92
_cell_length_b   4.44
_cell_length_c   7.22
_cell_angle_alpha   107.91
_cell_angle_beta   101.69
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuOsCl2
_chemical_formula_sum   'Cu1 Os1 Cl2'
_cell_volume   87.11
_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
  Cu  Cu0  1  0.0  0.0  0.0  1.0
  Os  Os1  1  0.29  0.29  0.29  1.0
  Cl  Cl2  1  0.09  0.31  0.31  1.0
  Cl  Cl3  1  0.66  0.2  0.66  1.0

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