data_La3Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.17
_cell_length_b   7.17
_cell_length_c   17.09
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La3Br
_chemical_formula_sum   'La18 Br6'
_cell_volume   760.08
_cell_formula_units_Z   6
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  0.0  0.1  0.27  1.0
  La  La7  1  0.3  0.16  0.27  1.0
  La  La8  1  0.7  0.16  0.27  1.0
  La  La9  1  0.58  0.11  0.82  1.0
  La  La10  1  0.28  0.05  0.82  1.0
  La  La11  1  0.89  0.05  0.82  1.0
  La  La12  1  0.58  0.25  0.89  1.0
  La  La13  1  0.7  0.98  0.89  1.0
  La  La14  1  0.47  0.98  0.89  1.0
  La  La15  1  0.58  0.25  0.66  1.0
  La  La16  1  0.7  0.98  0.66  1.0
  La  La17  1  0.47  0.98  0.66  1.0
  La  La18  1  0.0  0.96  0.2  1.0
  La  La19  1  0.89  0.23  0.2  1.0
  La  La20  1  0.11  0.23  0.2  1.0
  La  La21  1  0.0  0.96  0.43  1.0
  La  La22  1  0.89  0.23  0.43  1.0
  La  La23  1  0.11  0.23  0.43  1.0
  Br  Br0  1  0.0  0.0  0.27  1.0
  Br  Br1  1  0.0  0.0  0.82  1.0
  Br  Br2  1  0.58  0.07  0.4  1.0
  Br  Br3  1  0.58  0.07  0.23  1.0
  Br  Br4  1  0.0  0.14  0.85  1.0
  Br  Br5  1  0.0  0.14  0.69  1.0

data_La3Br
_symmetry_space_group_name_H-M   P1
_cell_length_a   7.17
_cell_length_b   7.17
_cell_length_c   17.09
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La3Br
_chemical_formula_sum   'La18 Br6'
_cell_volume   760.08
_cell_formula_units_Z   6
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  0.1  0.27  1.0
  La  La1  1  0.0  0.96  0.2  1.0
  La  La2  1  0.0  0.96  0.43  1.0
  La  La3  1  0.11  0.23  0.2  1.0
  La  La4  1  0.11  0.23  0.43  1.0
  La  La5  1  0.28  0.05  0.82  1.0
  La  La6  1  0.3  0.16  0.27  1.0
  La  La7  1  0.47  0.98  0.66  1.0
  La  La8  1  0.47  0.98  0.89  1.0
  La  La9  1  0.58  0.11  0.82  1.0
  La  La10  1  0.58  0.25  0.66  1.0
  La  La11  1  0.58  0.25  0.89  1.0
  La  La12  1  0.7  0.98  0.66  1.0
  La  La13  1  0.7  0.98  0.89  1.0
  La  La14  1  0.7  0.16  0.27  1.0
  La  La15  1  0.89  0.05  0.82  1.0
  La  La16  1  0.89  0.23  0.2  1.0
  La  La17  1  0.89  0.23  0.43  1.0
  Br  Br18  1  0.0  0.0  0.27  1.0
  Br  Br19  1  0.0  0.0  0.82  1.0
  Br  Br20  1  0.0  0.14  0.69  1.0
  Br  Br21  1  0.0  0.14  0.85  1.0
  Br  Br22  1  0.58  0.07  0.23  1.0
  Br  Br23  1  0.58  0.07  0.4  1.0

La La La La La La La La La La La La La La La La La La Br Br Br Br Br Br