data_[Pm4Pr12Au12]
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
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.8421]
_cell_length_b [11.1007]
_cell_length_c [7.4643]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.4117]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pm(PrAu)3]
_chemical_formula_sum '[Pm4 Pr12 Au12]'
_cell_volume [815.2553]
_cell_formula_units_Z [4]
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  4  0.0000  0.1773  0.5000  1
  Pr  Pr1  4  0.0000  0.2554  0.0000  1
  Pr  Pr2  4  0.1476  0.5000  0.3695  1
  Pm  Pm3  4  0.2441  0.5000  0.8693  1
  Au  Au4  8  0.2425  0.2534  0.7280  1
  Au  Au5  4  0.0656  0.0000  0.8135  1
]