data_Cu2Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.63
_cell_length_b   6.63
_cell_length_c   4.21
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   148.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2Sn
_chemical_formula_sum   'Cu4 Sn2'
_cell_volume   96.84
_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  0.81  0.97  0.05  1.0
  Cu  Cu1  1  0.81  0.03  0.15  1.0
  Cu  Cu2  1  0.81  0.6  0.05  1.0
  Cu  Cu3  1  0.81  0.4  0.15  1.0
  Sn  Sn4  1  0.81  0.08  0.05  1.0
  Sn  Sn5  1  0.81  0.92  0.15  1.0

data_Cu2Sn
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.61
_cell_length_b   4.21
_cell_length_c   6.63
_cell_angle_alpha   90.0
_cell_angle_beta   105.81
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Cu2Sn
_chemical_formula_sum   'Cu4 Sn2'
_cell_volume   96.84
_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  0.03  0.45  0.03  1.0
  Cu  Cu1  2  0.4  0.45  0.4  1.0
  Sn  Sn2  2  0.08  0.55  0.08  1.0

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