data_La2NbBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.49
_cell_length_b   6.08
_cell_length_c   5.21
_cell_angle_alpha   90.0
_cell_angle_beta   90.36
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2NbBr
_chemical_formula_sum   'La2 Nb1 Br1'
_cell_volume   110.62
_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  0.06  0.04  0.62  1.0
  La  La2  1  0.16  0.0  0.27  1.0
  Nb  Nb3  1  0.51  0.04  0.26  1.0
  Br  Br0  1  0.95  0.0  0.67  1.0

data_La2NbBr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.49
_cell_length_b   5.21
_cell_length_c   6.08
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.36
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2NbBr
_chemical_formula_sum   'La2 Nb1 Br1'
_cell_volume   110.62
_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  0.84  0.73  0.0  1.0
  La  La1  1  0.94  0.38  0.96  1.0
  Nb  Nb2  1  0.49  0.74  0.96  1.0
  Br  Br3  1  0.05  0.33  0.0  1.0

La La Nb Br
La La Nb Br 0 3 - o o 1 2 o o o 