data_Ni2OsCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.61
_cell_length_b   4.61
_cell_length_c   2.7
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   113.05
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni2OsCl
_chemical_formula_sum   'Ni2 Os1 Cl1'
_cell_volume   52.9
_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
  Ni  Ni1  1  0.27  0.92  0.35  1.0
  Ni  Ni2  1  0.27  0.08  0.35  1.0
  Os  Os3  1  0.54  0.0  0.0  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_Ni2OsCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.7
_cell_length_b   4.61
_cell_length_c   4.61
_cell_angle_alpha   113.05
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni2OsCl
_chemical_formula_sum   'Ni2 Os1 Cl1'
_cell_volume   52.9
_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
  Ni  Ni0  1  0.35  0.27  0.08  1.0
  Ni  Ni1  1  0.35  0.27  0.92  1.0
  Os  Os2  1  0.0  0.54  0.0  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

Ni Ni Os Cl
Ni Ni Os Cl 0 1 o + o 0 2 o + o 0 3 o + o 1 2 o o o 1 3 o o o 