data_HgAs2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.19
_cell_length_b   5.19
_cell_length_c   5.19
_cell_angle_alpha   131.7
_cell_angle_beta   131.7
_cell_angle_gamma   70.7
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgAs2Pd
_chemical_formula_sum   'Hg1 As2 Pd1'
_cell_volume   76.45
_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
  Hg  Hg2  1  0.12  0.0  0.12  1.0
  As  As0  1  0.0  0.12  0.12  1.0
  As  As1  1  0.0  0.0  0.0  1.0
  Pd  Pd3  1  0.0  0.0  0.24  1.0

data_HgAs2Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.25
_cell_length_b   4.25
_cell_length_c   5.19
_cell_angle_alpha   114.15
_cell_angle_beta   114.15
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgAs2Pd
_chemical_formula_sum   'Hg1 As2 Pd1'
_cell_volume   76.45
_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
  Hg  Hg0  1  0.12  0.99  0.99  1.0
  As  As1  1  0.0  0.0  0.0  1.0
  As  As2  1  0.99  0.12  0.99  1.0
  Pd  Pd3  1  0.24  0.24  0.24  1.0

Hg As As Pd