data_In2TcHg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.53
_cell_length_b   5.53
_cell_length_c   5.53
_cell_angle_alpha   136.2
_cell_angle_beta   136.2
_cell_angle_gamma   63.67
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2TcHg
_chemical_formula_sum   'In2 Tc1 Hg1'
_cell_volume   79.84
_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  In1  1  0.0  0.0  0.7  1.0
  In  In2  1  0.0  0.06  0.35  1.0
  Tc  Tc3  1  0.0  0.0  0.0  1.0
  Hg  Hg0  1  0.06  0.0  0.35  1.0

data_In2TcHg
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.12
_cell_length_b   4.12
_cell_length_c   5.53
_cell_angle_alpha   111.9
_cell_angle_beta   111.9
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2TcHg
_chemical_formula_sum   'In2 Tc1 Hg1'
_cell_volume   79.84
_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  0.29  0.35  0.29  1.0
  In  In1  1  0.7  0.7  0.7  1.0
  Tc  Tc2  1  0.0  0.0  0.0  1.0
  Hg  Hg3  1  0.35  0.29  0.29  1.0

In In Tc Hg