data_Cu2SnPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.83
_cell_length_b   4.83
_cell_length_c   4.83
_cell_angle_alpha   131.98
_cell_angle_beta   131.98
_cell_angle_gamma   70.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2SnPd
_chemical_formula_sum   'Cu2 Sn1 Pd1'
_cell_volume   61.06
_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  0.97  0.98  1.0
  Cu  Cu1  1  0.97  0.0  0.98  1.0
  Sn  Sn3  1  0.0  0.0  0.95  1.0
  Pd  Pd2  1  0.0  0.0  0.0  1.0

data_Cu2SnPd
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.56
_cell_length_b   5.56
_cell_length_c   4.83
_cell_angle_alpha   90.0
_cell_angle_beta   125.13
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Cu2SnPd
_chemical_formula_sum   'Cu4 Sn2 Pd2'
_cell_volume   122.12
_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  4  0.01  0.02  0.99  1.0
  Sn  Sn1  2  0.05  0.0  0.05  1.0
  Pd  Pd2  2  0.0  0.0  0.0  1.0

Cu Cu Sn Pd
Cu Cu Sn Pd 0 3 o + + 0 2 o + o 1 3 + o + 1 2 + o o 2 3 o o + 