data_[La8Sm6Sc1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Sm  1.1700  1.8500  1.2290
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [P-3]
_cell_length_a [9.4878]
_cell_length_b [9.4878]
_cell_length_c [6.7048]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [147]
_chemical_formula_structural [La8Sm6Sc]
_chemical_formula_sum '[La8 Sm6 Sc1]'
_cell_volume [522.6883]
_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  6  0.0431  0.2818  0.8232  1
  La  La1  2  0.3333  0.6667  0.8766  1
  Sm  Sm2  6  0.0952  0.4377  0.3427  1
  Sc  Sc3  1  0.0000  0.0000  0.5000  1
]