data_HgTe2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.44
_cell_length_b   6.44
_cell_length_c   5.15
_cell_angle_alpha   107.32
_cell_angle_beta   107.32
_cell_angle_gamma   36.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgTe2Pd
_chemical_formula_sum   'Hg1 Te2 Pd1'
_cell_volume   119.66
_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  0.85  0.0  0.96  1.0
  Te  Te2  1  0.25  0.0  0.09  1.0
  Te  Te3  1  0.13  0.0  0.49  1.0
  Pd  Pd1  1  0.74  0.0  0.8  1.0

data_HgTe2Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.99
_cell_length_b   5.15
_cell_length_c   6.44
_cell_angle_alpha   107.32
_cell_angle_beta   108.04
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgTe2Pd
_chemical_formula_sum   'Hg1 Te2 Pd1'
_cell_volume   119.66
_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  0.0  0.96  0.85  1.0
  Te  Te1  1  0.0  0.09  0.25  1.0
  Te  Te2  1  0.0  0.49  0.13  1.0
  Pd  Pd3  1  0.0  0.8  0.74  1.0

Hg Te Te Pd