data_[Pr3Dy6Mg27]
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 [R-3m]
_cell_length_a [6.0529]
_cell_length_b [6.0529]
_cell_length_c [29.4113]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [PrDy2Mg9]
_chemical_formula_sum '[Pr3 Dy6 Mg27]'
_cell_volume [933.1799]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.0000  1
  Dy  Dy1  6  0.0000  0.0000  0.1443  1
  Mg  Mg2  18  0.0049  0.5025  0.9153  1
  Mg  Mg3  6  0.0000  0.0000  0.3341  1
  Mg  Mg4  3  -0.0000  -0.0000  0.5000  1
]