data_Mo2OsCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.39
_cell_length_b   5.39
_cell_length_c   4.35
_cell_angle_alpha   97.07
_cell_angle_beta   97.07
_cell_angle_gamma   31.06
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mo2OsCl
_chemical_formula_sum   'Mo2 Os1 Cl1'
_cell_volume   64.69
_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
  Mo  Mo1  1  0.91  0.0  0.26  1.0
  Mo  Mo2  1  0.55  0.0  0.37  1.0
  Os  Os3  1  0.62  0.0  0.87  1.0
  Cl  Cl0  1  0.1  0.0  0.3  1.0

data_Mo2OsCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.89
_cell_length_b   4.35
_cell_length_c   5.39
_cell_angle_alpha   97.07
_cell_angle_beta   105.53
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mo2OsCl
_chemical_formula_sum   'Mo2 Os1 Cl1'
_cell_volume   64.69
_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
  Mo  Mo0  1  0.0  0.26  0.91  1.0
  Mo  Mo1  1  0.0  0.37  0.55  1.0
  Os  Os2  1  0.0  0.87  0.62  1.0
  Cl  Cl3  1  0.0  0.3  0.1  1.0

Mo Mo Os Cl