data_ZrOsCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.46
_cell_length_b   5.46
_cell_length_c   5.46
_cell_angle_alpha   148.32
_cell_angle_beta   120.02
_cell_angle_gamma   69.43
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrOsCl2
_chemical_formula_sum   'Zr1 Os1 Cl2'
_cell_volume   73.14
_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
  Zr  Zr3  1  0.0  0.0  0.0  1.0
  Os  Os2  1  0.0  0.0  0.49  1.0
  Cl  Cl0  1  0.0  0.73  0.29  1.0
  Cl  Cl1  1  0.49  0.0  0.2  1.0

data_ZrOsCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.98
_cell_length_b   5.46
_cell_length_c   5.46
_cell_angle_alpha   119.99
_cell_angle_beta   105.84
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrOsCl2
_chemical_formula_sum   'Zr1 Os1 Cl2'
_cell_volume   73.14
_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
  Zr  Zr0  1  0.0  0.0  0.0  1.0
  Os  Os1  1  0.0  0.49  0.49  1.0
  Cl  Cl2  1  0.0  0.2  0.71  1.0
  Cl  Cl3  1  0.27  0.56  0.56  1.0

Zr Os Cl Cl