data_TcHgTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.47
_cell_length_b   10.47
_cell_length_c   10.47
_cell_angle_alpha   18.85
_cell_angle_beta   18.85
_cell_angle_gamma   18.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcHgTe2
_chemical_formula_sum   'Tc1 Hg1 Te2'
_cell_volume   104.86
_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  Tc1  1  0.0  0.0  0.0  1.0
  Hg  Hg0  1  0.0  0.0  0.43  1.0
  Te  Te2  1  0.0  0.0  0.41  1.0
  Te  Te3  1  0.0  0.0  0.44  1.0

data_TcHgTe2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.94
_cell_length_b   3.43
_cell_length_c   10.47
_cell_angle_alpha   90.0
_cell_angle_beta   100.9
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TcHgTe2
_chemical_formula_sum   'Tc2 Hg2 Te4'
_cell_volume   209.72
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Hg  Hg1  2  0.0  0.0  0.57  1.0
  Te  Te2  2  0.0  0.0  0.56  1.0
  Te  Te3  2  0.0  0.0  0.59  1.0

Tc Hg Te Te
Tc Hg Te Te 0 0 o + - 0 0 + - o 0 0 + o - 1 2 o o o 1 3 o o o 