data_Gd3Sb4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.03
_cell_length_b   8.03
_cell_length_c   8.03
_cell_angle_alpha   109.47
_cell_angle_beta   109.47
_cell_angle_gamma   109.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Gd3Sb4
_chemical_formula_sum   'Gd6 Sb8'
_cell_volume   398.66
_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  Gd0  1  0.64  0.68  0.48  1.0
  Gd  Gd1  1  0.64  0.32  0.16  1.0
  Gd  Gd2  1  0.68  0.48  0.64  1.0
  Gd  Gd3  1  0.32  0.16  0.64  1.0
  Gd  Gd4  1  0.48  0.64  0.68  1.0
  Gd  Gd5  1  0.16  0.64  0.32  1.0
  Sb  Sb6  1  0.57  0.57  0.57  1.0
  Sb  Sb7  1  0.57  0.43  0.07  1.0
  Sb  Sb8  1  0.07  0.57  0.43  1.0
  Sb  Sb9  1  0.89  0.89  0.89  1.0
  Sb  Sb10  1  0.43  0.07  0.57  1.0
  Sb  Sb11  1  0.25  0.75  0.39  1.0
  Sb  Sb12  1  0.75  0.39  0.25  1.0
  Sb  Sb13  1  0.39  0.25  0.75  1.0

data_Gd3Sb4
_symmetry_space_group_name_H-M   R3
_cell_length_a   13.11
_cell_length_b   13.11
_cell_length_c   8.03
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   146
_chemical_formula_structural   Gd3Sb4
_chemical_formula_sum   'Gd18 Sb24'
_cell_volume   1195.99
_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  0.04  0.12  0.6  1.0
  Gd  Gd1  9  0.12  0.72  0.04  1.0
  Sb  Sb2  9  0.05  0.59  0.02  1.0
  Sb  Sb3  9  0.12  0.74  0.13  1.0
  Sb  Sb4  3  0.0  0.0  0.57  1.0
  Sb  Sb5  3  0.0  0.0  0.89  1.0

Gd Gd Gd Gd Gd Gd Sb Sb Sb Sb Sb Sb Sb Sb