data_LaPrAl6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.61
_cell_length_b   6.61
_cell_length_c   4.63
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaPrAl6
_chemical_formula_sum   'La1 Pr1 Al6'
_cell_volume   175.11
_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
  La  La0  1  0.0  0.0  0.0  1.0
  Pr  Pr1  1  0.3  0.91  0.32  1.0
  Al  Al2  1  1.0  0.41  0.0  1.0
  Al  Al3  1  0.61  0.01  0.0  1.0
  Al  Al4  1  0.39  0.01  0.0  1.0
  Al  Al5  1  1.0  0.22  0.32  1.0
  Al  Al6  1  0.38  0.61  0.32  1.0
  Al  Al7  1  0.62  0.61  0.32  1.0

data_LaPrAl6
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.63
_cell_length_b   6.61
_cell_length_c   6.61
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaPrAl6
_chemical_formula_sum   'La1 Pr1 Al6'
_cell_volume   175.11
_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
  La  La0  1  0.0  0.0  0.0  1.0
  Pr  Pr1  1  0.32  0.3  0.91  1.0
  Al  Al2  1  -0.0  1.0  0.41  1.0
  Al  Al3  1  -0.0  0.39  0.01  1.0
  Al  Al4  1  -0.0  0.61  0.01  1.0
  Al  Al5  1  0.32  0.38  0.61  1.0
  Al  Al6  1  0.32  0.62  0.61  1.0
  Al  Al7  1  0.32  1.0  0.22  1.0

La Pr Al Al Al Al Al Al