data_GaHgPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.29
_cell_length_b   5.29
_cell_length_c   4.6
_cell_angle_alpha   108.44
_cell_angle_beta   108.44
_cell_angle_gamma   34.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaHgPd2
_chemical_formula_sum   'Ga1 Hg1 Pd2'
_cell_volume   67.99
_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
  Ga  Ga0  1  0.28  0.0  0.46  1.0
  Hg  Hg1  1  0.37  0.0  0.91  1.0
  Pd  Pd2  1  0.96  0.0  0.17  1.0
  Pd  Pd3  1  0.27  0.0  0.97  1.0

data_GaHgPd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.1
_cell_length_b   4.6
_cell_length_c   5.29
_cell_angle_alpha   108.44
_cell_angle_beta   107.05
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaHgPd2
_chemical_formula_sum   'Ga1 Hg1 Pd2'
_cell_volume   67.99
_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
  Ga  Ga0  1  0.0  0.46  0.28  1.0
  Hg  Hg1  1  0.0  0.91  0.37  1.0
  Pd  Pd2  1  0.0  0.17  0.96  1.0
  Pd  Pd3  1  0.0  0.97  0.27  1.0

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