data_Th3Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.37
_cell_length_b   7.37
_cell_length_c   4.66
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th3Os
_chemical_formula_sum   'Th6 Os2'
_cell_volume   219.0
_cell_formula_units_Z   2
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
  Th  Th2  1  0.35  0.17  0.16  1.0
  Th  Th3  1  0.02  0.17  0.16  1.0
  Th  Th4  1  0.68  0.05  0.16  1.0
  Th  Th5  1  0.34  0.22  0.49  1.0
  Th  Th6  1  0.66  0.22  0.49  1.0
  Th  Th7  1  0.0  0.33  0.49  1.0
  Os  Os0  1  0.68  0.13  0.49  1.0
  Os  Os1  1  0.0  0.25  0.16  1.0

data_Th3Os
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.66
_cell_length_b   7.37
_cell_length_c   7.37
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Th3Os
_chemical_formula_sum   'Th6 Os2'
_cell_volume   219.0
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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
  Th  Th0  2  0.16  0.32  0.02  1.0
  Th  Th1  2  0.16  0.66  0.14  1.0
  Th  Th2  2  0.16  0.99  0.02  1.0
  Os  Os3  2  0.16  0.34  0.94  1.0

Th Th Th Th Th Th Os Os