data_TcHg2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.64
_cell_length_b   5.64
_cell_length_c   5.64
_cell_angle_alpha   148.8
_cell_angle_beta   126.52
_cell_angle_gamma   63.23
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcHg2Pd
_chemical_formula_sum   'Tc1 Hg2 Pd1'
_cell_volume   74.09
_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
  Tc  Tc3  1  0.0  0.0  0.0  1.0
  Hg  Hg0  1  0.52  0.0  0.43  1.0
  Hg  Hg1  1  0.0  0.54  0.38  1.0
  Pd  Pd2  1  0.0  0.0  0.81  1.0

data_TcHg2Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.04
_cell_length_b   5.08
_cell_length_c   5.64
_cell_angle_alpha   116.74
_cell_angle_beta   105.6
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcHg2Pd
_chemical_formula_sum   'Tc1 Hg2 Pd1'
_cell_volume   74.09
_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
  Tc  Tc0  1  0.0  0.0  0.0  1.0
  Hg  Hg1  1  0.09  0.57  0.09  1.0
  Hg  Hg2  1  0.62  0.16  0.16  1.0
  Pd  Pd3  1  0.19  0.19  0.19  1.0

Tc Hg Hg Pd