data_AlTc2B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.69
_cell_length_b   4.69
_cell_length_c   4.69
_cell_angle_alpha   142.92
_cell_angle_beta   123.45
_cell_angle_gamma   69.58
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlTc2B
_chemical_formula_sum   'Al1 Tc2 B1'
_cell_volume   51.1
_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  0.85  1.0
  Tc  Tc2  1  0.0  0.22  0.35  1.0
  Tc  Tc3  1  0.49  0.0  0.5  1.0
  B  B1  1  0.0  0.0  0.0  1.0

data_AlTc2B
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.98
_cell_length_b   4.44
_cell_length_c   4.69
_cell_angle_alpha   118.28
_cell_angle_beta   108.54
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlTc2B
_chemical_formula_sum   'Al1 Tc2 B1'
_cell_volume   51.1
_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  0.15  0.15  0.15  1.0
  Tc  Tc1  1  0.65  0.87  0.87  1.0
  Tc  Tc2  1  0.99  0.5  0.99  1.0
  B  B3  1  0.0  0.0  0.0  1.0

Al Tc Tc B