data_[Pr9Nd3Mg24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Nd  1.1400  1.8500  1.2765
  Mg  1.3100  1.5000  0.8600
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [6.1509]
_cell_length_b [6.1509]
_cell_length_c [30.2398]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Pr3NdMg8]
_chemical_formula_sum '[Pr9 Nd3 Mg24]'
_cell_volume [990.7883]
_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  0.0002  1.0
  Pr  Pr1  3  0.0000  0.0000  0.4999  1.0
  Pr  Pr2  3  0.0000  0.0000  0.6249  1.0
  Nd  Nd3  3  0.0000  0.0000  0.1248  1.0
  Mg  Mg4  9  0.0002  0.5001  0.0627  1.0
  Mg  Mg5  9  0.1668  0.3336  0.8957  1.0
  Mg  Mg6  3  0.0000  0.0000  0.3125  1.0
  Mg  Mg7  3  0.0000  0.0000  0.8125  1.0
]