data_[Pm18Pr8Mg22]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Pr  1.1300  1.8500  1.0600
  Mg  1.3100  1.5000  0.8600
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [16.3301]
_cell_length_b [23.4009]
_cell_length_c [3.7405]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Pm9Pr4Mg11]
_chemical_formula_sum '[Pm18 Pr8 Mg22]'
_cell_volume [1429.3934]
_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  0.1138  0.0928  0.5000  1
  Pm  Pm1  8  0.1163  0.2643  0.5000  1
  Pr  Pr2  8  0.1600  0.4138  0.5000  1
  Pm  Pm3  2  0.0000  0.5000  0.5000  1
  Mg  Mg4  8  0.2321  0.1783  0.0000  1
  Mg  Mg5  4  0.0000  0.1783  0.0000  1
  Mg  Mg6  4  0.0000  0.3613  0.0000  1
  Mg  Mg7  4  0.2180  0.0000  0.0000  1
  Mg  Mg8  2  0.0000  0.0000  0.0000  1
]