data_La2SeBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.23
_cell_length_b   6.1
_cell_length_c   4.41
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2SeBr
_chemical_formula_sum   'La2 Se1 Br1'
_cell_volume   113.66
_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  0.11  0.0  0.52  1.0
  La  La2  1  0.0  0.05  0.78  1.0
  Se  Se3  1  0.0  0.0  0.73  1.0
  Br  Br0  1  0.11  0.05  0.58  1.0

data_La2SeBr
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.23
_cell_length_b   4.41
_cell_length_c   6.1
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2SeBr
_chemical_formula_sum   'La2 Se1 Br1'
_cell_volume   113.66
_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  0.22  0.95  1.0
  La  La1  1  0.89  0.48  0.0  1.0
  Se  Se2  1  0.0  0.27  0.0  1.0
  Br  Br3  1  0.89  0.42  0.95  1.0

La La Se Br
La La Se Br 0 3 o o o 1 2 o o o 