data_La2InBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.68
_cell_length_b   4.68
_cell_length_c   7.65
_cell_angle_alpha   105.84
_cell_angle_beta   105.84
_cell_angle_gamma   54.57
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2InBr
_chemical_formula_sum   'La2 In1 Br1'
_cell_volume   130.07
_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  La2  1  0.36  0.0  0.5  1.0
  La  La3  1  0.61  0.0  0.78  1.0
  In  In1  1  0.99  0.0  0.64  1.0
  Br  Br0  1  0.0  0.0  0.0  1.0

data_La2InBr
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.29
_cell_length_b   4.68
_cell_length_c   7.65
_cell_angle_alpha   105.84
_cell_angle_beta   90.0
_cell_angle_gamma   117.29
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2InBr
_chemical_formula_sum   'La2 In1 Br1'
_cell_volume   130.07
_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  0.39  0.22  1.0
  La  La1  1  0.0  0.64  0.5  1.0
  In  In2  1  0.0  0.01  0.36  1.0
  Br  Br3  1  0.0  0.0  0.0  1.0

La La In Br
La La In Br 0 2 - o o 0 1 o o o 1 2 o o o 1 3 + o + 2 3 + o + 