data_Tc2HgBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.72
_cell_length_b   4.72
_cell_length_c   5.45
_cell_angle_alpha   101.09
_cell_angle_beta   101.09
_cell_angle_gamma   39.59
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tc2HgBi
_chemical_formula_sum   'Tc2 Hg1 Bi1'
_cell_volume   75.68
_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  0.4  0.0  0.32  1.0
  Tc  Tc3  1  0.36  0.0  0.01  1.0
  Hg  Hg1  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.88  0.0  0.67  1.0

data_Tc2HgBi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.2
_cell_length_b   4.72
_cell_length_c   5.45
_cell_angle_alpha   101.09
_cell_angle_beta   90.0
_cell_angle_gamma   109.79
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tc2HgBi
_chemical_formula_sum   'Tc2 Hg1 Bi1'
_cell_volume   75.68
_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  0.6  0.68  1.0
  Tc  Tc1  1  0.0  0.64  0.99  1.0
  Hg  Hg2  1  0.0  0.0  0.0  1.0
  Bi  Bi3  1  0.0  0.12  0.33  1.0

Tc Tc Hg Bi