data_[La12Dy4Sc4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Dy  1.2200  1.7500  1.1310
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [5.7924]
_cell_length_b [19.1561]
_cell_length_c [6.0245]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [La3DySc]
_chemical_formula_sum '[La12 Dy4 Sc4]'
_cell_volume [668.4738]
_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  4  0.0000  0.0576  0.6015  1
  La  La1  4  0.0000  0.2510  0.6492  1
  La  La2  4  0.0000  0.4492  0.7196  1
  Dy  Dy3  4  0.0000  0.1459  0.1024  1
  Sc  Sc4  4  0.0000  0.3525  0.2033  1
]