data_[Pm6Nd6Mg45]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Nd  1.1400  1.8500  1.2765
  Mg  1.3100  1.5000  0.8600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [10.6001]
_cell_length_b [10.6001]
_cell_length_c [15.3069]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Pm2Nd2Mg15]
_chemical_formula_sum '[Pm6 Nd6 Mg45]'
_cell_volume [1489.4945]
_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
[
  Pm  Pm0  6  0.0000  0.0000  0.0963  1
  Nd  Nd1  6  0.0000  0.0000  0.3330  1
  Mg  Mg2  18  0.0000  0.3009  0.0000  1
  Mg  Mg3  18  0.0097  0.5049  0.1490  1
  Mg  Mg4  9  0.0000  0.5000  0.5000  1
]