data_InTcHg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.11
_cell_length_b   4.21
_cell_length_c   6.16
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InTcHg2
_chemical_formula_sum   'In1 Tc1 Hg2'
_cell_volume   80.55
_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
  In  In2  1  0.55  0.1  0.29  1.0
  Tc  Tc3  1  0.0  0.0  0.51  1.0
  Hg  Hg0  1  0.55  0.1  0.11  1.0
  Hg  Hg1  1  0.0  0.0  0.5  1.0

data_InTcHg2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.11
_cell_length_b   4.21
_cell_length_c   6.16
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InTcHg2
_chemical_formula_sum   'In1 Tc1 Hg2'
_cell_volume   80.55
_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
  In  In0  1  0.55  0.1  0.29  1.0
  Tc  Tc1  1  0.0  0.0  0.51  1.0
  Hg  Hg2  1  0.0  0.0  0.5  1.0
  Hg  Hg3  1  0.55  0.1  0.11  1.0

In Tc Hg Hg
In Tc Hg Hg 0 2 o o o 1 3 o o o 