data_CuSn8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.87
_cell_length_b   7.87
_cell_length_c   7.87
_cell_angle_alpha   93.78
_cell_angle_beta   93.78
_cell_angle_gamma   150.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuSn8
_chemical_formula_sum   'Cu1 Sn8'
_cell_volume   233.83
_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
  Cu  Cu0  1  0.0  0.0  0.0  1.0
  Sn  Sn1  1  0.62  0.38  0.02  1.0
  Sn  Sn2  1  0.38  0.62  0.02  1.0
  Sn  Sn3  1  0.55  0.0  0.0  1.0
  Sn  Sn4  1  0.62  0.62  0.02  1.0
  Sn  Sn5  1  0.0  0.55  0.0  1.0
  Sn  Sn6  1  0.76  0.76  0.0  1.0
  Sn  Sn7  1  0.21  0.0  0.0  1.0
  Sn  Sn8  1  0.0  0.21  0.0  1.0

data_CuSn8
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.04
_cell_length_b   15.21
_cell_length_c   7.87
_cell_angle_alpha   90.0
_cell_angle_beta   104.88
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CuSn8
_chemical_formula_sum   'Cu2 Sn16'
_cell_volume   467.67
_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
  Cu  Cu0  2  0.0  0.0  0.0  1.0
  Sn  Sn1  4  0.02  0.38  0.02  1.0
  Sn  Sn2  4  0.22  0.78  0.0  1.0
  Sn  Sn3  4  0.4  0.4  0.0  1.0
  Sn  Sn4  2  0.24  0.0  0.0  1.0
  Sn  Sn5  2  0.4  0.0  0.02  1.0

Cu Sn Sn Sn Sn Sn Sn Sn Sn
Cu Sn Sn Sn Sn Sn Sn Sn Sn 0 6 - - o 0 7 o o o 0 8 o o o 1 7 o o o 1 4 o o o 1 5 + o o 2 8 o o o 2 4 o o o 2 3 o + o 3 5 o - o 3 5 + o o 3 8 + o o 4 6 o o o 5 7 o + o 