data_TcHgPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.12
_cell_length_b   5.12
_cell_length_c   5.12
_cell_angle_alpha   148.27
_cell_angle_beta   133.59
_cell_angle_gamma   57.32
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcHgPd
_chemical_formula_sum   'Tc1 Hg1 Pd1'
_cell_volume   50.83
_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  Tc2  1  0.0  0.0  0.89  1.0
  Hg  Hg0  1  0.0  0.0  0.0  1.0
  Pd  Pd1  1  0.0  0.0  0.09  1.0

data_TcHgPd
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.8
_cell_length_b   4.04
_cell_length_c   5.12
_cell_angle_alpha   113.21
_cell_angle_beta   105.87
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcHgPd
_chemical_formula_sum   'Tc1 Hg1 Pd1'
_cell_volume   50.83
_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  0.11  0.11  0.11  1.0
  Hg  Hg1  1  1.0  1.0  1.0  1.0
  Pd  Pd2  1  0.91  0.91  0.91  1.0

Tc Hg Pd
Tc Hg Pd 0 1 o o + 1 2 o o o 