data_LaAlSi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.18
_cell_length_b   4.18
_cell_length_c   11.46
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaAlSi2
_chemical_formula_sum   'La2 Al2 Si4'
_cell_volume   173.68
_cell_formula_units_Z   2
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
  La  La0  1  0.0  0.0  0.37  1.0
  La  La1  1  0.0  0.0  0.09  1.0
  Al  Al2  1  0.0  0.42  0.67  1.0
  Al  Al3  1  0.09  0.21  0.79  1.0
  Si  Si4  1  0.09  0.21  0.37  1.0
  Si  Si5  1  0.0  0.42  0.09  1.0
  Si  Si6  1  0.0  0.42  0.39  1.0
  Si  Si7  1  0.09  0.21  0.07  1.0

data_LaAlSi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.18
_cell_length_b   4.18
_cell_length_c   11.46
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaAlSi2
_chemical_formula_sum   'La2 Al2 Si4'
_cell_volume   173.68
_cell_formula_units_Z   2
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
  La  La0  1  0.0  0.0  0.09  1.0
  La  La1  1  0.0  0.0  0.37  1.0
  Al  Al2  1  0.0  0.42  0.67  1.0
  Al  Al3  1  0.09  0.21  0.79  1.0
  Si  Si4  1  0.0  0.42  0.09  1.0
  Si  Si5  1  0.0  0.42  0.39  1.0
  Si  Si6  1  0.09  0.21  0.07  1.0
  Si  Si7  1  0.09  0.21  0.37  1.0

La La Al Al Si Si Si Si
La La Al Al Si Si Si Si 0 4 o o o 1 7 o o o 2 3 o o o 4 6 o o o 5 7 o o o 