data_[Pm10Mg8Al8]
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 [I4/m]
_cell_length_a [12.2179]
_cell_length_b [12.2179]
_cell_length_c [4.5576]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [87]
_chemical_formula_structural [Pm5(MgAl)4]
_chemical_formula_sum '[Pm10 Mg8 Al8]'
_cell_volume [680.3553]
_cell_formula_units_Z [2]
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  8  0.1301  0.2018  0.5000  1
  Pm  Pm1  2  0.0000  0.0000  0.0000  1
  Mg  Mg2  8  0.0806  0.6062  0.5000  1
  Al  Al3  8  0.0584  0.7479  0.0000  1
]