data_[La2In6Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  In  1.7800  1.5500  0.9400
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.5386]
_cell_length_b [8.4017]
_cell_length_c [13.0010]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.2201]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [La(InCl2)3]
_chemical_formula_sum '[La2 In6 Cl12]'
_cell_volume [696.6381]
_cell_formula_units_Z [2]
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  2  0.0000  0.0000  0.0000  1
  In  In1  4  0.2956  0.0675  0.7754  1
  In  In2  2  0.5000  0.0000  0.5000  1
  Cl  Cl3  4  0.0908  0.0759  0.2334  1
  Cl  Cl4  4  0.2565  0.7304  0.0907  1
  Cl  Cl5  4  0.3547  0.1616  0.0367  1
]