data_SiTc2Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.12
_cell_length_b   3.77
_cell_length_c   6.02
_cell_angle_alpha   90.0
_cell_angle_beta   102.64
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiTc2Bi
_chemical_formula_sum   'Si1 Tc2 Bi1'
_cell_volume   69.19
_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
  Si  Si1  1  0.0  0.0  0.0  1.0
  Tc  Tc2  1  0.87  0.89  0.18  1.0
  Tc  Tc3  1  0.93  0.89  0.7  1.0
  Bi  Bi0  1  0.34  0.0  0.94  1.0

data_SiTc2Bi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.12
_cell_length_b   3.77
_cell_length_c   6.02
_cell_angle_alpha   90.0
_cell_angle_beta   102.64
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiTc2Bi
_chemical_formula_sum   'Si1 Tc2 Bi1'
_cell_volume   69.19
_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
  Si  Si0  1  0.0  0.0  0.0  1.0
  Tc  Tc1  1  0.87  0.89  0.18  1.0
  Tc  Tc2  1  0.93  0.89  0.7  1.0
  Bi  Bi3  1  0.34  0.0  0.94  1.0

Si Tc Tc Bi
Si Tc Tc Bi 0 1 - - o 0 3 o o - 0 2 - - - 2 3 + + o 