data_ZrHgPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.04
_cell_length_b   4.44
_cell_length_c   5.55
_cell_angle_alpha   90.0
_cell_angle_beta   101.16
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrHgPd2
_chemical_formula_sum   'Zr1 Hg1 Pd2'
_cell_volume   73.4
_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
  Zr  Zr3  1  0.38  0.0  0.55  1.0
  Hg  Hg0  1  0.83  0.22  0.26  1.0
  Pd  Pd1  1  0.23  0.0  0.34  1.0
  Pd  Pd2  1  0.95  0.22  0.46  1.0

data_ZrHgPd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.04
_cell_length_b   4.44
_cell_length_c   5.55
_cell_angle_alpha   90.0
_cell_angle_beta   101.16
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrHgPd2
_chemical_formula_sum   'Zr1 Hg1 Pd2'
_cell_volume   73.4
_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
  Zr  Zr0  1  0.38  0.0  0.55  1.0
  Hg  Hg1  1  0.83  0.22  0.26  1.0
  Pd  Pd2  1  0.23  0.0  0.34  1.0
  Pd  Pd3  1  0.95  0.22  0.46  1.0

Zr Hg Pd Pd
Zr Hg Pd Pd 0 2 o o o 1 3 o o o 