data_LaInCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.52
_cell_length_b   5.52
_cell_length_c   5.98
_cell_angle_alpha   103.3
_cell_angle_beta   103.3
_cell_angle_gamma   40.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaInCl2
_chemical_formula_sum   'La1 In1 Cl2'
_cell_volume   113.84
_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  La3  1  0.45  0.0  0.9  1.0
  In  In2  1  0.0  0.0  0.0  1.0
  Cl  Cl0  1  0.76  0.0  0.71  1.0
  Cl  Cl1  1  0.14  0.0  0.09  1.0

data_LaInCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.78
_cell_length_b   5.52
_cell_length_c   5.98
_cell_angle_alpha   103.3
_cell_angle_beta   90.0
_cell_angle_gamma   110.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaInCl2
_chemical_formula_sum   'La1 In1 Cl2'
_cell_volume   113.84
_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  0.55  0.1  1.0
  In  In1  1  0.0  0.0  0.0  1.0
  Cl  Cl2  1  0.0  0.24  0.29  1.0
  Cl  Cl3  1  0.0  0.86  0.91  1.0

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