data_[Pr1Dy3Mg8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Dy  1.2200  1.7500  1.1310
  Mg  1.3100  1.5000  0.8600
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [6.0905]
_cell_length_b [6.0905]
_cell_length_c [9.8333]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [PrDy3Mg8]
_chemical_formula_sum '[Pr1 Dy3 Mg8]'
_cell_volume [315.8865]
_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
[
  Pr  Pr0  1  0.0000  0.0000  0.4346  1.0
  Dy  Dy1  1  0.0000  0.0000  0.0605  1.0
  Dy  Dy2  1  0.6667  0.3333  0.5685  1.0
  Dy  Dy3  1  0.6667  0.3333  0.9371  1.0
  Mg  Mg4  3  0.1628  0.3255  0.7518  1.0
  Mg  Mg5  3  0.5045  0.0090  0.2479  1.0
  Mg  Mg6  1  0.3333  0.6667  0.5002  1.0
  Mg  Mg7  1  0.3333  0.6667  0.9999  1.0
]