data_Zr2OsCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.04
_cell_length_b   5.04
_cell_length_c   3.07
_cell_angle_alpha   100.03
_cell_angle_beta   100.03
_cell_angle_gamma   94.27
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2OsCl
_chemical_formula_sum   'Zr2 Os1 Cl1'
_cell_volume   75.18
_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  Zr2  1  0.32  0.15  0.48  1.0
  Zr  Zr3  1  0.32  0.85  0.48  1.0
  Os  Os1  1  0.43  0.0  0.0  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_Zr2OsCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.07
_cell_length_b   5.04
_cell_length_c   5.04
_cell_angle_alpha   94.27
_cell_angle_beta   100.03
_cell_angle_gamma   100.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2OsCl
_chemical_formula_sum   'Zr2 Os1 Cl1'
_cell_volume   75.18
_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  0.48  0.32  0.15  1.0
  Zr  Zr1  1  0.48  0.32  0.85  1.0
  Os  Os2  1  0.0  0.43  0.0  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

Zr Zr Os Cl