data_AlTcSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.68
_cell_length_b   4.68
_cell_length_c   6.64
_cell_angle_alpha   104.41
_cell_angle_beta   104.41
_cell_angle_gamma   38.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlTcSe2
_chemical_formula_sum   'Al1 Tc1 Se2'
_cell_volume   87.16
_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  0.25  0.0  0.98  1.0
  Tc  Tc3  1  0.83  0.0  0.71  1.0
  Se  Se1  1  0.93  0.0  0.72  1.0
  Se  Se2  1  0.63  0.0  0.2  1.0

data_AlTcSe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.08
_cell_length_b   4.68
_cell_length_c   6.64
_cell_angle_alpha   104.41
_cell_angle_beta   90.0
_cell_angle_gamma   109.2
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlTcSe2
_chemical_formula_sum   'Al1 Tc1 Se2'
_cell_volume   87.16
_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  0.75  0.02  1.0
  Tc  Tc1  1  0.0  0.17  0.29  1.0
  Se  Se2  1  0.0  0.07  0.28  1.0
  Se  Se3  1  0.0  0.37  0.8  1.0

Al Tc Se Se