data_[La12Sc6]
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
]
_symmetry_space_group_name_H-M [R32]
_cell_length_a [6.3129]
_cell_length_b [6.3129]
_cell_length_c [17.0995]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [155]
_chemical_formula_structural [La2Sc]
_chemical_formula_sum '[La12 Sc6]'
_cell_volume [590.1653]
_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  9  0.0000  0.3077  0.0000  1.0
  La  La1  3  0.0000  0.0000  0.5000  1.0
  Sc  Sc2  6  0.0000  0.0000  0.1708  1.0
]