data_La3Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.64
_cell_length_b   5.79
_cell_length_c   6.11
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La3Br
_chemical_formula_sum   'La3 Br1'
_cell_volume   128.63
_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  0.82  0.0  0.74  1.0
  La  La2  1  0.82  0.89  0.31  1.0
  La  La3  1  0.0  0.89  0.13  1.0
  Br  Br0  1  0.0  0.0  0.1  1.0

data_La3Br
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.64
_cell_length_b   5.79
_cell_length_c   6.11
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La3Br
_chemical_formula_sum   'La3 Br1'
_cell_volume   128.63
_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  0.89  0.13  1.0
  La  La1  1  0.82  0.0  0.74  1.0
  La  La2  1  0.82  0.89  0.31  1.0
  Br  Br3  1  0.0  0.0  0.1  1.0

La La La Br