data_[La4Dy5]
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
]
_symmetry_space_group_name_H-M [P31m]
_cell_length_a [6.2252]
_cell_length_b [6.2252]
_cell_length_c [20.8054]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [157]
_chemical_formula_structural [La4Dy5]
_chemical_formula_sum '[La4 Dy5]'
_cell_volume [698.2535]
_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  3  0.0000  0.6679  0.5003  1
  La  La1  1  0.0000  0.0000  0.3580  1
  Dy  Dy2  3  0.0000  0.3332  0.6371  1
  Dy  Dy3  2  0.3333  0.6667  0.3649  1
]