data_OsW2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.85
_cell_length_b   4.14
_cell_length_c   5.5
_cell_angle_alpha   90.0
_cell_angle_beta   104.9
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   OsW2Cl
_chemical_formula_sum   'Os1 W2 Cl1'
_cell_volume   62.61
_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
  Os  Os1  1  0.13  0.07  0.04  1.0
  W  W2  1  0.72  0.0  0.11  1.0
  W  W3  1  0.63  0.07  0.44  1.0
  Cl  Cl0  1  0.68  0.0  0.69  1.0

data_OsW2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.85
_cell_length_b   4.14
_cell_length_c   5.5
_cell_angle_alpha   90.0
_cell_angle_beta   104.9
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   OsW2Cl
_chemical_formula_sum   'Os1 W2 Cl1'
_cell_volume   62.61
_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
  Os  Os0  1  0.13  0.07  0.04  1.0
  W  W1  1  0.63  0.07  0.44  1.0
  W  W2  1  0.72  0.0  0.11  1.0
  Cl  Cl3  1  0.68  0.0  0.69  1.0

Os W W Cl
Os W W Cl 0 1 - o o 2 3 o o o 