data_ThGa2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.96
_cell_length_b   7.96
_cell_length_c   7.96
_cell_angle_alpha   148.95
_cell_angle_beta   148.95
_cell_angle_gamma   44.49
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ThGa2
_chemical_formula_sum   'Th2 Ga4'
_cell_volume   133.89
_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  Th4  1  0.0  0.0  0.0  1.0
  Th  Th5  1  0.0  0.13  0.68  1.0
  Ga  Ga0  1  0.0  0.0  0.6  1.0
  Ga  Ga1  1  0.13  0.0  0.46  1.0
  Ga  Ga2  1  0.13  0.0  0.91  1.0
  Ga  Ga3  1  0.0  0.0  0.14  1.0

data_ThGa2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.26
_cell_length_b   4.26
_cell_length_c   7.96
_cell_angle_alpha   105.53
_cell_angle_beta   105.53
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ThGa2
_chemical_formula_sum   'Th2 Ga4'
_cell_volume   133.89
_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  Th0  1  0.0  0.0  0.0  1.0
  Th  Th1  1  0.55  0.68  0.55  1.0
  Ga  Ga2  1  0.14  0.14  0.14  1.0
  Ga  Ga3  1  0.46  0.33  0.33  1.0
  Ga  Ga4  1  0.6  0.6  0.6  1.0
  Ga  Ga5  1  0.91  0.78  0.78  1.0

Th Th Ga Ga Ga Ga
Th Th Ga Ga Ga Ga 0 5 o o o 0 4 o o - 1 2 o o o 1 3 o o o 1 4 o o o 2 3 o o o 2 4 o o o 3 5 o o o 