data_Cr2SiPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.66
_cell_length_b   3.93
_cell_length_c   4.92
_cell_angle_alpha   90.0
_cell_angle_beta   94.83
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2SiPd
_chemical_formula_sum   'Cr2 Si1 Pd1'
_cell_volume   51.35
_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
  Cr  Cr0  1  0.11  0.97  0.04  1.0
  Cr  Cr1  1  0.14  0.97  0.86  1.0
  Si  Si3  1  0.0  0.0  0.0  1.0
  Pd  Pd2  1  0.79  0.0  0.45  1.0

data_Cr2SiPd
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.66
_cell_length_b   3.93
_cell_length_c   4.92
_cell_angle_alpha   90.0
_cell_angle_beta   94.83
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2SiPd
_chemical_formula_sum   'Cr2 Si1 Pd1'
_cell_volume   51.35
_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
  Cr  Cr0  1  0.11  0.97  0.04  1.0
  Cr  Cr1  1  0.14  0.97  0.86  1.0
  Si  Si2  1  0.0  0.0  0.0  1.0
  Pd  Pd3  1  0.79  0.0  0.45  1.0

Cr Cr Si Pd
Cr Cr Si Pd 0 2 o + o 0 1 o o - 0 3 o + o 0 3 - + o 1 2 o + + 1 3 o + o 1 3 - + o 2 3 - o o 2 3 - o - 3 3 + o o 