data_AlTcBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.05
_cell_length_b   6.05
_cell_length_c   6.05
_cell_angle_alpha   148.33
_cell_angle_beta   148.33
_cell_angle_gamma   45.4
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlTcBi
_chemical_formula_sum   'Al1 Tc1 Bi1'
_cell_volume   60.92
_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  0.49  1.0
  Tc  Tc2  1  0.0  0.0  0.22  1.0
  Bi  Bi1  1  0.0  0.0  0.45  1.0

data_AlTcBi
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.67
_cell_length_b   4.67
_cell_length_c   6.05
_cell_angle_alpha   90.0
_cell_angle_beta   112.7
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   AlTcBi
_chemical_formula_sum   'Al2 Tc2 Bi2'
_cell_volume   121.84
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.51  1.0
  Tc  Tc1  2  0.0  0.0  0.78  1.0
  Bi  Bi2  2  0.0  0.0  0.55  1.0

Al Tc Bi