data_CrSiPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.64
_cell_length_b   4.64
_cell_length_c   2.73
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   110.45
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrSiPd2
_chemical_formula_sum   'Cr1 Si1 Pd2'
_cell_volume   55.23
_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  0.65  0.0  0.0  1.0
  Si  Si3  1  0.0  0.0  0.0  1.0
  Pd  Pd1  1  0.32  0.09  0.37  1.0
  Pd  Pd2  1  0.32  0.91  0.37  1.0

data_CrSiPd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.73
_cell_length_b   4.64
_cell_length_c   4.64
_cell_angle_alpha   110.45
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrSiPd2
_chemical_formula_sum   'Cr1 Si1 Pd2'
_cell_volume   55.23
_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  0.0  0.65  0.0  1.0
  Si  Si1  1  0.0  0.0  0.0  1.0
  Pd  Pd2  1  0.37  0.32  0.09  1.0
  Pd  Pd3  1  0.37  0.32  0.91  1.0

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