data_Cu5Sn3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.55
_cell_length_b   3.55
_cell_length_c   10.63
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu5Sn3
_chemical_formula_sum   'Cu5 Sn3'
_cell_volume   134.1
_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
  Cu  Cu1  1  0.0  0.0  0.67  1.0
  Cu  Cu2  1  0.0  0.0  0.96  1.0
  Cu  Cu3  1  0.78  0.78  0.05  1.0
  Cu  Cu4  1  0.78  0.78  0.58  1.0
  Sn  Sn5  1  0.0  0.0  0.31  1.0
  Sn  Sn6  1  0.78  0.78  0.46  1.0
  Sn  Sn7  1  0.78  0.78  0.17  1.0

data_Cu5Sn3
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.02
_cell_length_b   5.02
_cell_length_c   10.63
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Cu5Sn3
_chemical_formula_sum   'Cu10 Sn6'
_cell_volume   268.21
_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
  Cu  Cu1  2  0.0  0.0  0.67  1.0
  Cu  Cu2  2  0.0  0.0  0.96  1.0
  Cu  Cu3  2  0.28  0.5  0.05  1.0
  Cu  Cu4  2  0.28  0.5  0.58  1.0
  Sn  Sn5  2  0.0  0.0  0.31  1.0
  Sn  Sn6  2  0.28  0.5  0.17  1.0
  Sn  Sn7  2  0.28  0.5  0.46  1.0

Cu Cu Cu Cu Cu Sn Sn Sn