data_GdSn3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.67
_cell_length_b   11.7
_cell_length_c   11.7
_cell_angle_alpha   21.92
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GdSn3
_chemical_formula_sum   'Gd2 Sn6'
_cell_volume   238.68
_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  0.0  0.0  0.3  1.0
  Gd  Gd1  1  0.34  0.0  0.74  1.0
  Sn  Sn2  1  0.34  0.0  0.9  1.0
  Sn  Sn3  1  0.34  0.0  0.37  1.0
  Sn  Sn4  1  0.0  0.0  0.44  1.0
  Sn  Sn5  1  0.0  0.0  0.71  1.0
  Sn  Sn6  1  0.34  0.0  0.91  1.0
  Sn  Sn7  1  0.0  0.0  0.11  1.0

data_GdSn3
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.45
_cell_length_b   4.67
_cell_length_c   11.7
_cell_angle_alpha   90.0
_cell_angle_beta   100.96
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GdSn3
_chemical_formula_sum   'Gd2 Sn6'
_cell_volume   238.68
_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  0.26  0.34  0.26  1.0
  Gd  Gd1  1  0.7  0.0  0.7  1.0
  Sn  Sn2  1  0.09  0.34  0.09  1.0
  Sn  Sn3  1  0.1  0.34  0.1  1.0
  Sn  Sn4  1  0.29  0.0  0.29  1.0
  Sn  Sn5  1  0.56  0.0  0.56  1.0
  Sn  Sn6  1  0.63  0.34  0.63  1.0
  Sn  Sn7  1  0.89  0.0  0.89  1.0

Gd Gd Sn Sn Sn Sn Sn Sn
Gd Gd Sn Sn Sn Sn Sn Sn 0 4 o o o 0 3 o o o 0 7 o o o 1 5 o o o 1 2 o o o 2 6 o o o 3 4 o o o 