data_TcHg2Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.31
_cell_length_b   5.31
_cell_length_c   5.31
_cell_angle_alpha   130.76
_cell_angle_beta   130.76
_cell_angle_gamma   72.2
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcHg2Te
_chemical_formula_sum   'Tc1 Hg2 Te1'
_cell_volume   84.14
_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  0.0  0.0  0.29  1.0
  Hg  Hg1  1  0.0  0.21  0.15  1.0
  Te  Te3  1  0.21  0.0  0.15  1.0

data_TcHg2Te
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.43
_cell_length_b   4.43
_cell_length_c   5.31
_cell_angle_alpha   114.62
_cell_angle_beta   114.62
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcHg2Te
_chemical_formula_sum   'Tc1 Hg2 Te1'
_cell_volume   84.14
_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  0.29  0.29  0.29  1.0
  Hg  Hg2  1  0.93  0.15  0.93  1.0
  Te  Te3  1  0.15  0.93  0.93  1.0

Tc Hg Hg Te