data_Cr2CuPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.87
_cell_length_b   8.87
_cell_length_c   8.87
_cell_angle_alpha   16.91
_cell_angle_beta   16.91
_cell_angle_gamma   16.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2CuPd
_chemical_formula_sum   'Cr2 Cu1 Pd1'
_cell_volume   51.53
_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  0.0  0.59  1.0
  Cr  Cr1  1  0.0  0.0  0.64  1.0
  Cu  Cu2  1  0.0  0.0  0.0  1.0
  Pd  Pd3  1  0.0  0.0  0.11  1.0

data_Cr2CuPd
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.52
_cell_length_b   2.61
_cell_length_c   8.87
_cell_angle_alpha   90.0
_cell_angle_beta   99.78
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Cr2CuPd
_chemical_formula_sum   'Cr4 Cu2 Pd2'
_cell_volume   103.06
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  -0.0  0.0  0.41  1.0
  Cr  Cr1  2  -0.0  0.0  0.36  1.0
  Cu  Cu2  2  0.0  0.0  0.0  1.0
  Pd  Pd3  2  -0.0  0.0  0.89  1.0

Cr Cr Cu Pd