data_AlTcBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.52
_cell_length_b   5.52
_cell_length_c   5.52
_cell_angle_alpha   133.15
_cell_angle_beta   133.15
_cell_angle_gamma   68.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlTcBi2
_chemical_formula_sum   'Al1 Tc1 Bi2'
_cell_volume   88.15
_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
  Al  Al0  1  0.0  0.0  0.0  1.0
  Tc  Tc3  1  0.0  0.2  0.28  1.0
  Bi  Bi1  1  0.2  0.0  0.28  1.0
  Bi  Bi2  1  0.0  0.0  0.57  1.0

data_AlTcBi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.39
_cell_length_b   4.39
_cell_length_c   5.52
_cell_angle_alpha   113.43
_cell_angle_beta   113.43
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlTcBi2
_chemical_formula_sum   'Al1 Tc1 Bi2'
_cell_volume   88.15
_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
  Al  Al0  1  0.0  0.0  0.0  1.0
  Tc  Tc1  1  0.09  0.28  0.09  1.0
  Bi  Bi2  1  0.28  0.09  0.09  1.0
  Bi  Bi3  1  0.57  0.57  0.57  1.0

Al Tc Bi Bi