data_[Pm9Mg3Al24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Mg  1.3100  1.5000  0.8600
  Al  1.6100  1.2500  0.6750
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [5.6089]
_cell_length_b [5.6089]
_cell_length_c [27.4967]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Pm3MgAl8]
_chemical_formula_sum '[Pm9 Mg3 Al24]'
_cell_volume [749.1494]
_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  3  0.0000  0.0000  0.3741  1
  Pm  Pm1  3  0.0000  0.0000  0.5026  1
  Pm  Pm2  3  0.0000  0.0000  0.9964  1
  Mg  Mg3  3  0.0000  0.0000  0.8744  1
  Al  Al4  9  0.0022  0.5011  0.9377  1
  Al  Al5  9  0.1670  0.3340  0.7714  1
  Al  Al6  3  0.0000  0.0000  0.1879  1
  Al  Al7  3  0.0000  0.0000  0.6873  1
]