data_Cu2Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.51
_cell_length_b   6.51
_cell_length_c   3.93
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   144.23
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2Sn
_chemical_formula_sum   'Cu4 Sn2'
_cell_volume   97.35
_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
  Cu  Cu0  1  1.0  0.0  0.96  1.0
  Cu  Cu1  1  0.0  0.0  0.0  1.0
  Cu  Cu2  1  1.0  0.7  0.0  1.0
  Cu  Cu3  1  1.0  0.3  0.0  1.0
  Sn  Sn4  1  1.0  0.27  0.96  1.0
  Sn  Sn5  1  1.0  0.73  0.96  1.0

data_Cu2Sn
_symmetry_space_group_name_H-M   P2
_cell_length_a   4.0
_cell_length_b   3.93
_cell_length_c   6.51
_cell_angle_alpha   90.0
_cell_angle_beta   107.88
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   3
_chemical_formula_structural   Cu2Sn
_chemical_formula_sum   'Cu4 Sn2'
_cell_volume   97.35
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.3  -0.0  0.3  1.0
  Cu  Cu1  1  0.0  0.0  0.0  1.0
  Cu  Cu2  1  0.0  0.04  0.0  1.0
  Sn  Sn3  2  0.27  0.04  0.27  1.0

Cu Cu Cu Cu Sn Sn
Cu Cu Cu Cu Sn Sn 0 1 + o + 2 5 o o - 3 4 o o - 