data_CrPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.67
_cell_length_b   3.67
_cell_length_c   5.99
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrPd
_chemical_formula_sum   'Cr2 Pd2'
_cell_volume   70.07
_cell_formula_units_Z   2
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  0.84  0.06  0.99  1.0
  Cr  Cr1  1  0.0  0.12  0.99  1.0
  Pd  Pd2  1  0.84  0.06  0.25  1.0
  Pd  Pd3  1  0.0  0.12  0.25  1.0

data_CrPd
_symmetry_space_group_name_H-M   P2
_cell_length_a   3.67
_cell_length_b   5.99
_cell_length_c   3.67
_cell_angle_alpha   90.0
_cell_angle_beta   120.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   3
_chemical_formula_structural   CrPd
_chemical_formula_sum   'Cr2 Pd2'
_cell_volume   70.07
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.42  0.01  0.97  1.0
  Pd  Pd1  2  0.42  0.75  0.97  1.0

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