data_[La24Sm16Sc4]
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 [Cmcm]
_cell_length_a [5.9532]
_cell_length_b [9.8033]
_cell_length_c [26.2188]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [La6Sm4Sc]
_chemical_formula_sum '[La24 Sm16 Sc4]'
_cell_volume [1530.1655]
_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  0.0000  0.1190  0.1846  1
  La  La1  8  0.0000  0.2050  0.6049  1
  La  La2  4  0.0000  0.4472  0.2500  1
  La  La3  4  0.0000  0.5000  0.0000  1
  Sm  Sm4  8  0.0000  0.1493  0.0451  1
  Sm  Sm5  8  0.0000  0.4493  0.1245  1
  Sc  Sc6  4  0.0000  0.2125  0.7500  1
]