data_La4B5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.12
_cell_length_b   8.12
_cell_length_c   6.11
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La4B5
_chemical_formula_sum   'La8 B10'
_cell_volume   349.08
_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  La10  1  0.0  0.0  0.06  1.0
  La  La11  1  0.0  0.0  0.0  1.0
  La  La12  1  0.59  0.75  0.59  1.0
  La  La13  1  0.94  0.0  0.59  1.0
  La  La14  1  0.53  0.28  0.59  1.0
  La  La15  1  0.47  0.28  0.53  1.0
  La  La16  1  0.18  0.0  0.53  1.0
  La  La17  1  0.41  0.75  0.53  1.0
  B  B0  1  0.89  0.0  0.59  1.0
  B  B1  1  0.34  0.0  0.59  1.0
  B  B2  1  0.83  0.03  0.59  1.0
  B  B3  1  0.17  0.03  0.53  1.0
  B  B4  1  0.78  0.0  0.53  1.0
  B  B5  1  0.11  0.0  0.53  1.0
  B  B6  1  0.0  0.69  0.06  1.0
  B  B7  1  0.06  0.34  0.0  1.0
  B  B8  1  0.06  0.34  0.06  1.0
  B  B9  1  0.0  0.69  0.0  1.0

data_La4B5
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.11
_cell_length_b   8.12
_cell_length_c   8.12
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La4B5
_chemical_formula_sum   'La8 B10'
_cell_volume   349.08
_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  0.0  1.0
  La  La1  1  0.06  0.0  0.0  1.0
  La  La2  1  0.53  0.18  0.0  1.0
  La  La3  1  0.53  0.41  0.75  1.0
  La  La4  1  0.53  0.47  0.28  1.0
  La  La5  1  0.59  0.53  0.28  1.0
  La  La6  1  0.59  0.59  0.75  1.0
  La  La7  1  0.59  0.94  0.0  1.0
  B  B8  1  0.0  0.0  0.69  1.0
  B  B9  1  0.0  0.06  0.34  1.0
  B  B10  1  0.06  0.0  0.69  1.0
  B  B11  1  0.06  0.06  0.34  1.0
  B  B12  1  0.53  0.11  0.0  1.0
  B  B13  1  0.53  0.17  0.03  1.0
  B  B14  1  0.53  0.78  0.0  1.0
  B  B15  1  0.59  0.34  0.0  1.0
  B  B16  1  0.59  0.83  0.03  1.0
  B  B17  1  0.59  0.89  0.0  1.0

La La La La La La La La B B B B B B B B B B
La La La La La La La La B B B B B B B B B B 0 1 o o o 2 7 o o o 3 8 o o o 4 5 o o o 6 11 o o o 6 9 o o o 8 10 o o o 9 11 o o o 10 12 o o o 11 13 o o o 14 17 o o o 15 16 o o o 