data_TaAlSi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.03
_cell_length_b   5.03
_cell_length_c   4.55
_cell_angle_alpha   94.12
_cell_angle_beta   94.12
_cell_angle_gamma   32.69
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaAlSi2
_chemical_formula_sum   'Ta1 Al1 Si2'
_cell_volume   61.98
_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
  Ta  Ta3  1  0.68  0.0  0.19  1.0
  Al  Al0  1  0.08  0.0  0.49  1.0
  Si  Si1  1  0.21  0.0  0.44  1.0
  Si  Si2  1  0.29  0.0  0.24  1.0

data_TaAlSi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.83
_cell_length_b   4.55
_cell_length_c   5.03
_cell_angle_alpha   94.12
_cell_angle_beta   106.35
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaAlSi2
_chemical_formula_sum   'Ta1 Al1 Si2'
_cell_volume   61.98
_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
  Ta  Ta0  1  0.0  0.19  0.68  1.0
  Al  Al1  1  0.0  0.49  0.08  1.0
  Si  Si2  1  0.0  0.24  0.29  1.0
  Si  Si3  1  0.0  0.44  0.21  1.0

Ta Al Si Si