data_TlTc2Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.27
_cell_length_b   5.27
_cell_length_c   5.27
_cell_angle_alpha   132.45
_cell_angle_beta   132.45
_cell_angle_gamma   69.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlTc2Bi
_chemical_formula_sum   'Tl1 Tc2 Bi1'
_cell_volume   78.37
_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
  Tl  Tl3  1  0.0  0.0  0.33  1.0
  Tc  Tc1  1  0.0  0.0  0.0  1.0
  Tc  Tc2  1  0.13  0.0  0.17  1.0
  Bi  Bi0  1  0.0  0.13  0.17  1.0

data_TlTc2Bi
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.25
_cell_length_b   4.25
_cell_length_c   5.27
_cell_angle_alpha   113.77
_cell_angle_beta   113.77
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlTc2Bi
_chemical_formula_sum   'Tl1 Tc2 Bi1'
_cell_volume   78.37
_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
  Tl  Tl0  1  0.33  0.33  0.33  1.0
  Tc  Tc1  1  0.0  0.0  0.0  1.0
  Tc  Tc2  1  0.17  0.04  0.04  1.0
  Bi  Bi3  1  0.04  0.17  0.04  1.0

Tl Tc Tc Bi
Tl Tc Tc Bi 0 3 o o o 0 2 o o o 1 3 o o o 1 2 o o o 2 3 o o o 