data_Cu2SiPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.89
_cell_length_b   4.89
_cell_length_c   4.13
_cell_angle_alpha   112.8
_cell_angle_beta   112.8
_cell_angle_gamma   35.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2SiPd
_chemical_formula_sum   'Cu2 Si1 Pd1'
_cell_volume   51.65
_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  0.25  0.0  0.91  1.0
  Cu  Cu1  1  0.4  0.0  0.86  1.0
  Si  Si3  1  0.0  0.0  0.0  1.0
  Pd  Pd2  1  0.82  0.0  0.88  1.0

data_Cu2SiPd
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.94
_cell_length_b   4.13
_cell_length_c   4.89
_cell_angle_alpha   112.8
_cell_angle_beta   107.5
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2SiPd
_chemical_formula_sum   'Cu2 Si1 Pd1'
_cell_volume   51.65
_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
  Si  Si0  1  0.0  0.0  0.0  1.0
  Cu  Cu1  1  0.0  0.86  0.4  1.0
  Cu  Cu2  1  0.0  0.91  0.25  1.0
  Pd  Pd3  1  0.0  0.88  0.82  1.0

Cu Cu Si Pd