data_[La18Sc6In36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Sc  1.3600  1.6000  0.8850
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [R-3c]
_cell_length_a [12.7325]
_cell_length_b [12.7325]
_cell_length_c [12.5314]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [167]
_chemical_formula_structural [La3ScIn6]
_chemical_formula_sum '[La18 Sc6 In36]'
_cell_volume [1759.3769]
_cell_formula_units_Z [6]
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  18  0.0000  0.4444  0.2500  1
  Sc  Sc1  6  0.0000  0.0000  0.0000  1
  In  In2  36  0.0771  0.2028  0.3401  1
]