data_CaOsCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.43
_cell_length_b   6.43
_cell_length_c   6.43
_cell_angle_alpha   145.93
_cell_angle_beta   145.93
_cell_angle_gamma   48.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaOsCl2
_chemical_formula_sum   'Ca1 Os1 Cl2'
_cell_volume   82.97
_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
  Ca  Ca0  1  0.0  0.0  0.85  1.0
  Os  Os3  1  0.88  0.0  0.92  1.0
  Cl  Cl1  1  0.0  0.88  0.92  1.0
  Cl  Cl2  1  0.0  0.0  0.0  1.0

data_CaOsCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.77
_cell_length_b   3.77
_cell_length_c   6.43
_cell_angle_alpha   107.04
_cell_angle_beta   107.04
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaOsCl2
_chemical_formula_sum   'Ca1 Os1 Cl2'
_cell_volume   82.97
_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
  Ca  Ca0  1  0.15  0.0  0.15  1.0
  Os  Os1  1  0.08  0.0  0.96  1.0
  Cl  Cl2  1  0.0  0.0  0.0  1.0
  Cl  Cl3  1  0.96  0.88  0.96  1.0

Ca Os Cl Cl