data_Ta2TcHg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.83
_cell_length_b   4.83
_cell_length_c   3.15
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   106.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2TcHg
_chemical_formula_sum   'Ta2 Tc1 Hg1'
_cell_volume   70.43
_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
  Ta  Ta1  1  0.44  0.06  0.57  1.0
  Ta  Ta2  1  0.44  0.94  0.57  1.0
  Tc  Tc3  1  0.0  0.0  0.0  1.0
  Hg  Hg0  1  0.89  0.0  0.0  1.0

data_Ta2TcHg
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.15
_cell_length_b   4.83
_cell_length_c   4.83
_cell_angle_alpha   106.61
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2TcHg
_chemical_formula_sum   'Ta2 Tc1 Hg1'
_cell_volume   70.43
_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
  Ta  Ta0  1  0.57  0.44  0.06  1.0
  Ta  Ta1  1  0.57  0.44  0.94  1.0
  Tc  Tc2  1  0.0  0.0  0.0  1.0
  Hg  Hg3  1  0.0  0.89  0.0  1.0

Ta Ta Tc Hg
Ta Ta Tc Hg 0 1 o - o 2 3 - o o 