data_CrHgPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.25
_cell_length_b   3.25
_cell_length_c   6.26
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrHgPd2
_chemical_formula_sum   'Cr1 Hg1 Pd2'
_cell_volume   66.25
_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  0.0  1.0
  Hg  Hg1  1  0.0  0.0  0.13  1.0
  Pd  Pd2  1  0.63  0.63  0.85  1.0
  Pd  Pd3  1  0.63  0.63  0.41  1.0

data_CrHgPd2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.6
_cell_length_b   4.6
_cell_length_c   6.26
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CrHgPd2
_chemical_formula_sum   'Cr2 Hg2 Pd4'
_cell_volume   132.51
_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  0.0  1.0
  Hg  Hg1  2  0.0  0.0  0.13  1.0
  Pd  Pd2  2  0.13  0.5  0.41  1.0
  Pd  Pd3  2  0.13  0.5  0.85  1.0

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