data_Os2WCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.55
_cell_length_b   4.55
_cell_length_c   5.3
_cell_angle_alpha   97.7
_cell_angle_beta   97.7
_cell_angle_gamma   36.05
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Os2WCl
_chemical_formula_sum   'Os2 W1 Cl1'
_cell_volume   63.98
_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
  Os  Os1  1  0.67  0.0  0.04  1.0
  Os  Os2  1  0.26  0.0  0.13  1.0
  W  W3  1  0.15  0.0  0.37  1.0
  Cl  Cl0  1  0.68  0.0  0.59  1.0

data_Os2WCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.82
_cell_length_b   4.55
_cell_length_c   5.3
_cell_angle_alpha   97.7
_cell_angle_beta   90.0
_cell_angle_gamma   108.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Os2WCl
_chemical_formula_sum   'Os2 W1 Cl1'
_cell_volume   63.98
_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
  Os  Os0  1  0.0  0.33  0.96  1.0
  Os  Os1  1  0.0  0.74  0.87  1.0
  W  W2  1  0.0  0.85  0.63  1.0
  Cl  Cl3  1  0.0  0.32  0.41  1.0

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