data_La8Al
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.18
_cell_length_b   8.18
_cell_length_c   8.18
_cell_angle_alpha   95.52
_cell_angle_beta   95.52
_cell_angle_gamma   143.86
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La8Al
_chemical_formula_sum   'La8 Al1'
_cell_volume   306.85
_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  La1  1  0.75  0.25  0.54  1.0
  La  La2  1  0.25  0.75  0.54  1.0
  La  La3  1  0.52  0.0  0.0  1.0
  La  La4  1  0.75  0.75  0.54  1.0
  La  La5  1  0.0  0.52  0.0  1.0
  La  La6  1  0.75  0.75  0.0  1.0
  La  La7  1  0.47  0.0  0.0  1.0
  La  La8  1  0.0  0.47  0.0  1.0
  Al  Al0  1  0.0  0.0  0.0  1.0

data_La8Al
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.07
_cell_length_b   15.55
_cell_length_c   8.18
_cell_angle_alpha   90.0
_cell_angle_beta   108.07
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   La8Al
_chemical_formula_sum   'La16 Al2'
_cell_volume   613.71
_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
  La  La0  4  0.0  0.25  0.46  1.0
  La  La1  4  0.24  0.24  0.0  1.0
  La  La2  4  0.26  0.26  0.0  1.0
  La  La3  2  0.25  0.0  0.46  1.0
  La  La4  2  0.25  0.0  0.0  1.0
  Al  Al5  2  0.0  0.0  0.0  1.0

La La La La La La La La Al
La La La La La La La La Al 0 1 o - o 0 1 + o o 0 3 o - o 0 3 o o o 1 3 o o o 1 3 - o o 2 6 o o o 3 5 o o o 3 5 o o + 3 8 + + + 4 7 o o o 5 8 + + o 