data_CuSiPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.87
_cell_length_b   2.87
_cell_length_c   6.73
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   92.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuSiPd2
_chemical_formula_sum   'Cu1 Si1 Pd2'
_cell_volume   55.39
_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  0.36  1.0
  Si  Si3  1  0.0  0.0  0.0  1.0
  Pd  Pd1  1  0.98  0.0  0.21  1.0
  Pd  Pd2  1  0.98  0.0  0.52  1.0

data_CuSiPd2
_symmetry_space_group_name_H-M   Cmm2
_cell_length_a   3.97
_cell_length_b   4.15
_cell_length_c   6.73
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   35
_chemical_formula_structural   CuSiPd2
_chemical_formula_sum   'Cu2 Si2 Pd4'
_cell_volume   110.78
_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, y, z'
  4  'x, -y, z'
  5  'x+1/2, y+1/2, z'
  6  '-x+1/2, -y+1/2, z'
  7  '-x+1/2, y+1/2, z'
  8  '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
  Si  Si0  2  0.0  0.0  0.0  1.0
  Cu  Cu1  2  0.0  0.0  0.64  1.0
  Pd  Pd2  2  0.0  0.0  0.48  1.0
  Pd  Pd3  2  0.0  0.0  0.79  1.0

Cu Si Pd Pd
Cu Si Pd Pd 0 2 - o o 0 3 - o o 1 2 - o o 