data_TcBiTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.62
_cell_length_b   4.5
_cell_length_c   5.19
_cell_angle_alpha   90.0
_cell_angle_beta   111.72
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcBiTe2
_chemical_formula_sum   'Tc1 Bi1 Te2'
_cell_volume   100.24
_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
  Bi  Bi0  1  0.35  0.0  0.41  1.0
  Te  Te2  1  0.32  0.25  0.9  1.0
  Te  Te3  1  0.38  0.25  0.92  1.0

data_TcBiTe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.5
_cell_length_b   4.62
_cell_length_c   5.19
_cell_angle_alpha   111.72
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcBiTe2
_chemical_formula_sum   'Tc1 Bi1 Te2'
_cell_volume   100.24
_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
  Bi  Bi1  1  0.0  0.65  0.59  1.0
  Te  Te2  1  0.75  0.62  0.08  1.0
  Te  Te3  1  0.75  0.68  0.1  1.0

Tc Bi Te Te