data_Th(CuGe)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.89
_cell_length_b   5.89
_cell_length_c   5.89
_cell_angle_alpha   138.5
_cell_angle_beta   138.5
_cell_angle_gamma   60.14
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th(CuGe)2
_chemical_formula_sum   'Th1 Cu2 Ge2'
_cell_volume   88.73
_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
  Th  Th4  1  0.0  0.0  0.0  1.0
  Cu  Cu0  1  0.09  0.0  0.55  1.0
  Cu  Cu1  1  0.0  0.09  0.55  1.0
  Ge  Ge2  1  0.0  0.0  0.85  1.0
  Ge  Ge3  1  0.0  0.0  0.35  1.0

data_Th(CuGe)2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.9
_cell_length_b   5.9
_cell_length_c   5.89
_cell_angle_alpha   90.0
_cell_angle_beta   120.07
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Th(CuGe)2
_chemical_formula_sum   'Th2 Cu4 Ge4'
_cell_volume   177.47
_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
  Th  Th0  2  0.0  0.0  0.0  1.0
  Cu  Cu1  4  0.5  0.04  0.54  1.0
  Ge  Ge2  2  0.15  0.0  0.15  1.0
  Ge  Ge3  2  0.15  0.5  0.65  1.0

Th Cu Cu Ge Ge
Th Cu Cu Ge Ge 0 3 o o - 1 2 o o o 1 4 o o o 2 4 o o o 