data_[La4Dy1Mg5]
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
  Mg  1.3100  1.5000  0.8600
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.9339]
_cell_length_b [3.9339]
_cell_length_c [19.6497]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [La4DyMg5]
_chemical_formula_sum '[La4 Dy1 Mg5]'
_cell_volume [304.0915]
_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  2  0.0000  0.0000  0.1938  1.0
  La  La1  2  0.0000  0.0000  0.3977  1.0
  Dy  Dy2  1  0.0000  0.0000  0.0000  1.0
  Mg  Mg3  2  0.5000  0.5000  0.0911  1.0
  Mg  Mg4  2  0.5000  0.5000  0.2961  1.0
  Mg  Mg5  1  0.5000  0.5000  0.5000  1.0
]