data_TcBi5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.25
_cell_length_b   6.25
_cell_length_c   6.0
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcBi5
_chemical_formula_sum   'Tc1 Bi5'
_cell_volume   202.79
_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  Tc5  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.12  0.8  0.0  1.0
  Bi  Bi1  1  0.0  0.61  0.0  1.0
  Bi  Bi2  1  0.44  0.71  1.0  1.0
  Bi  Bi3  1  0.56  0.71  1.0  1.0
  Bi  Bi4  1  0.12  0.0  1.0  1.0

data_TcBi5
_symmetry_space_group_name_H-M   Pm
_cell_length_a   6.25
_cell_length_b   6.0
_cell_length_c   6.25
_cell_angle_alpha   90.0
_cell_angle_beta   120.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   TcBi5
_chemical_formula_sum   'Tc1 Bi5'
_cell_volume   202.79
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.0  0.61  1.0
  Bi  Bi2  1  0.12  0.0  0.8  1.0
  Bi  Bi3  1  0.12  0.0  0.0  1.0
  Bi  Bi4  1  0.44  0.0  0.71  1.0
  Bi  Bi5  1  0.56  0.0  0.71  1.0

Tc Bi Bi Bi Bi Bi
Tc Bi Bi Bi Bi Bi 0 5 o o - 1 2 o o o 1 5 o + - 3 4 o o o 