data_AlTc2Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.2
_cell_length_b   5.2
_cell_length_c   5.2
_cell_angle_alpha   143.71
_cell_angle_beta   121.91
_cell_angle_gamma   70.45
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlTc2Bi
_chemical_formula_sum   'Al1 Tc2 Bi1'
_cell_volume   69.66
_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  Tc2  1  0.0  0.53  0.3  1.0
  Tc  Tc3  1  0.62  0.0  0.95  1.0
  Bi  Bi1  1  0.0  0.0  0.25  1.0

data_AlTc2Bi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.24
_cell_length_b   5.05
_cell_length_c   5.2
_cell_angle_alpha   119.04
_cell_angle_beta   108.14
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlTc2Bi
_chemical_formula_sum   'Al1 Tc2 Bi1'
_cell_volume   69.66
_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  0.67  0.05  0.67  1.0
  Tc  Tc2  1  0.7  0.23  0.23  1.0
  Bi  Bi3  1  0.75  0.75  0.75  1.0

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