data_La5B3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.94
_cell_length_b   7.94
_cell_length_c   7.18
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La5B3
_chemical_formula_sum   'La10 B6'
_cell_volume   392.07
_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  La6  1  0.97  0.29  0.59  1.0
  La  La7  1  0.0  0.58  0.0  1.0
  La  La8  1  0.0  0.58  0.59  1.0
  La  La9  1  0.97  0.29  0.0  1.0
  La  La10  1  0.03  0.14  0.39  1.0
  La  La11  1  1.0  0.73  0.8  1.0
  La  La12  1  0.0  0.73  0.39  1.0
  La  La13  1  0.94  0.0  0.39  1.0
  La  La14  1  0.0  0.0  0.8  1.0
  La  La15  1  0.97  0.14  0.8  1.0
  B  B0  1  0.38  0.81  0.39  1.0
  B  B1  1  0.65  0.07  0.8  1.0
  B  B2  1  0.35  0.07  0.39  1.0
  B  B3  1  0.25  0.0  0.39  1.0
  B  B4  1  0.69  0.0  0.8  1.0
  B  B5  1  0.62  0.81  0.8  1.0

data_La5B3
_symmetry_space_group_name_H-M   P1
_cell_length_a   7.18
_cell_length_b   7.94
_cell_length_c   7.94
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La5B3
_chemical_formula_sum   'La10 B6'
_cell_volume   392.07
_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  0.58  1.0
  La  La1  1  0.0  0.97  0.29  1.0
  La  La2  1  0.39  0.0  0.73  1.0
  La  La3  1  0.39  0.03  0.14  1.0
  La  La4  1  0.39  0.94  0.0  1.0
  La  La5  1  0.59  0.0  0.58  1.0
  La  La6  1  0.59  0.97  0.29  1.0
  La  La7  1  0.8  0.0  0.0  1.0
  La  La8  1  0.8  0.97  0.14  1.0
  La  La9  1  0.8  1.0  0.73  1.0
  B  B10  1  0.39  0.25  0.0  1.0
  B  B11  1  0.39  0.35  0.07  1.0
  B  B12  1  0.39  0.38  0.81  1.0
  B  B13  1  0.8  0.62  0.81  1.0
  B  B14  1  0.8  0.65  0.07  1.0
  B  B15  1  0.8  0.69  0.0  1.0

La La La La La La La La La La B B B B B B