data_[La12In20]
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
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [10.4532]
_cell_length_b [8.5026]
_cell_length_c [10.7006]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [La3In5]
_chemical_formula_sum '[La12 In20]'
_cell_volume [951.0628]
_cell_formula_units_Z [4]
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  8  0.2047  0.0000  0.0000  1.0
  La  La1  4  0.0000  0.3697  0.2500  1.0
  In  In2  8  0.0000  0.3053  0.5522  1.0
  In  In3  8  0.2104  0.2863  0.7500  1.0
  In  In4  4  0.0000  0.0124  0.7500  1.0
]