data_ZrOsCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.0
_cell_length_b   6.89
_cell_length_c   3.12
_cell_angle_alpha   78.99
_cell_angle_beta   75.05
_cell_angle_gamma   25.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrOsCl
_chemical_formula_sum   'Zr1 Os1 Cl1'
_cell_volume   63.23
_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  0.03  0.37  0.88  1.0
  Os  Os1  1  0.03  0.37  0.91  1.0
  Cl  Cl0  1  0.03  0.37  0.37  1.0

data_ZrOsCl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.05
_cell_length_b   13.16
_cell_length_c   3.12
_cell_angle_alpha   90.0
_cell_angle_beta   130.49
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ZrOsCl
_chemical_formula_sum   'Zr2 Os2 Cl2'
_cell_volume   126.45
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.38  0.5  0.9  1.0
  Os  Os1  2  0.41  0.5  0.94  1.0
  Cl  Cl2  2  0.37  0.0  0.4  1.0

Zr Os Cl