data_HgTePd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.82
_cell_length_b   4.29
_cell_length_c   4.56
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgTePd2
_chemical_formula_sum   'Hg1 Te1 Pd2'
_cell_volume   74.81
_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  0.91  0.15  0.0  1.0
  Te  Te3  1  0.91  0.0  0.28  1.0
  Pd  Pd1  1  0.0  0.15  0.28  1.0
  Pd  Pd2  1  0.0  0.0  0.0  1.0

data_HgTePd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.82
_cell_length_b   4.29
_cell_length_c   4.56
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgTePd2
_chemical_formula_sum   'Hg1 Te1 Pd2'
_cell_volume   74.81
_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  0.91  0.15  -0.0  1.0
  Te  Te1  1  0.91  0.0  0.28  1.0
  Pd  Pd2  1  0.0  0.0  0.0  1.0
  Pd  Pd3  1  0.0  0.15  0.28  1.0

Hg Te Pd Pd