data_Al2TcSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.43
_cell_length_b   3.43
_cell_length_c   5.59
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2TcSe
_chemical_formula_sum   'Al2 Tc1 Se1'
_cell_volume   65.7
_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  0.43  1.0
  Al  Al1  1  0.71  0.71  0.4  1.0
  Tc  Tc3  1  0.71  0.71  0.51  1.0
  Se  Se2  1  0.0  0.0  0.63  1.0

data_Al2TcSe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.85
_cell_length_b   4.85
_cell_length_c   5.59
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Al2TcSe
_chemical_formula_sum   'Al4 Tc2 Se2'
_cell_volume   131.4
_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  0.43  1.0
  Al  Al1  2  0.21  0.5  0.4  1.0
  Tc  Tc2  2  0.21  0.5  0.51  1.0
  Se  Se3  2  0.0  0.0  0.63  1.0

Al Al Tc Se
Al Al Tc Se 0 1 - - o 0 3 o o o 1 2 o o o 