data_TcHg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.91
_cell_length_b   7.63
_cell_length_c   2.99
_cell_angle_alpha   84.27
_cell_angle_beta   73.64
_cell_angle_gamma   22.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcHg2
_chemical_formula_sum   'Tc1 Hg2'
_cell_volume   58.28
_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  0.0  1.0
  Hg  Hg0  1  0.51  0.58  0.87  1.0
  Hg  Hg1  1  0.51  0.58  0.09  1.0

data_TcHg2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.99
_cell_length_b   2.99
_cell_length_c   7.63
_cell_angle_alpha   95.73
_cell_angle_beta   95.73
_cell_angle_gamma   119.38
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcHg2
_chemical_formula_sum   'Tc1 Hg2'
_cell_volume   58.28
_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  0.51  0.13  0.09  1.0
  Hg  Hg2  1  0.51  0.91  0.09  1.0

Tc Hg Hg