data_Gd4Bi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.17
_cell_length_b   8.17
_cell_length_c   8.17
_cell_angle_alpha   109.47
_cell_angle_beta   109.47
_cell_angle_gamma   109.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Gd4Bi3
_chemical_formula_sum   'Gd8 Bi6'
_cell_volume   420.0
_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
  Gd  Gd6  1  0.67  0.33  0.05  1.0
  Gd  Gd7  1  0.31  0.69  0.41  1.0
  Gd  Gd8  1  0.33  0.05  0.67  1.0
  Gd  Gd9  1  0.67  0.67  0.67  1.0
  Gd  Gd10  1  0.05  0.67  0.33  1.0
  Gd  Gd11  1  0.41  0.31  0.69  1.0
  Gd  Gd12  1  0.69  0.41  0.31  1.0
  Gd  Gd13  1  0.03  0.03  0.03  1.0
  Bi  Bi0  1  0.64  0.54  0.72  1.0
  Bi  Bi1  1  0.72  0.64  0.54  1.0
  Bi  Bi2  1  0.36  0.18  0.72  1.0
  Bi  Bi3  1  0.18  0.72  0.36  1.0
  Bi  Bi4  1  0.72  0.36  0.18  1.0
  Bi  Bi5  1  0.54  0.72  0.64  1.0

data_Gd4Bi3
_symmetry_space_group_name_H-M   R3
_cell_length_a   13.34
_cell_length_b   13.34
_cell_length_c   8.17
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   146
_chemical_formula_structural   Gd4Bi3
_chemical_formula_sum   'Gd24 Bi18'
_cell_volume   1260.0
_cell_formula_units_Z   6
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  'x+2/3, y+1/3, z+1/3'
  5  '-y+2/3, x-y+1/3, z+1/3'
  6  '-x+y+2/3, -x+1/3, z+1/3'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
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
  Gd  Gd0  9  0.03  0.69  0.02  1.0
  Gd  Gd1  9  0.18  0.73  0.14  1.0
  Gd  Gd2  3  0.0  0.0  0.03  1.0
  Gd  Gd3  3  0.0  0.0  0.67  1.0
  Bi  Bi4  9  0.01  0.91  0.63  1.0
  Bi  Bi5  9  0.09  0.73  0.09  1.0

Gd Gd Gd Gd Gd Gd Gd Gd Bi Bi Bi Bi Bi Bi
Gd Gd Gd Gd Gd Gd Gd Gd Bi Bi Bi Bi Bi Bi 0 12 o o o 1 11 o o o 2 10 o o o 3 13 o o o 3 9 o o o 3 8 o o o 3 7 + + + 4 11 o o o 5 10 o o o 6 12 o o o 7 13 - - - 7 9 - - - 7 8 - - - 