data_Cr2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.2
_cell_length_b   4.2
_cell_length_c   5.13
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2Pd
_chemical_formula_sum   'Cr4 Pd2'
_cell_volume   78.54
_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  0.0  0.0  0.57  1.0
  Cr  Cr1  1  0.0  0.0  0.0  1.0
  Cr  Cr2  1  0.0  0.43  0.28  1.0
  Cr  Cr3  1  0.1  0.21  0.85  1.0
  Pd  Pd4  1  0.0  0.43  0.85  1.0
  Pd  Pd5  1  0.1  0.21  0.28  1.0

data_Cr2Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.2
_cell_length_b   4.2
_cell_length_c   5.13
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2Pd
_chemical_formula_sum   'Cr4 Pd2'
_cell_volume   78.54
_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  -0.0  0.43  0.28  1.0
  Cr  Cr1  1  0.0  0.0  0.0  1.0
  Cr  Cr2  1  0.0  0.0  0.57  1.0
  Cr  Cr3  1  0.1  0.21  0.85  1.0
  Pd  Pd4  1  -0.0  0.43  0.85  1.0
  Pd  Pd5  1  0.1  0.21  0.28  1.0

Cr Cr Cr Cr Pd Pd
Cr Cr Cr Cr Pd Pd 0 5 o o o 0 3 o o o 1 3 o o - 2 5 o o o 3 4 o o o 