data_La2InCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.87
_cell_length_b   7.87
_cell_length_c   7.87
_cell_angle_alpha   142.07
_cell_angle_beta   142.07
_cell_angle_gamma   54.73
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2InCl
_chemical_formula_sum   'La2 In1 Cl1'
_cell_volume   182.77
_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  0.0  0.0  0.99  1.0
  La  La3  1  0.0  0.56  0.49  1.0
  In  In1  1  0.56  0.0  0.49  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_La2InCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.11
_cell_length_b   5.11
_cell_length_c   7.87
_cell_angle_alpha   108.97
_cell_angle_beta   108.97
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2InCl
_chemical_formula_sum   'La2 In1 Cl1'
_cell_volume   182.77
_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  0.01  0.0  0.01  1.0
  La  La1  1  0.06  0.56  0.06  1.0
  In  In2  1  0.51  0.0  0.06  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

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