data_[Pm4Nd12Au4]
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
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [7.9029]
_cell_length_b [14.6679]
_cell_length_c [6.0573]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [PmNd3Au]
_chemical_formula_sum '[Pm4 Nd12 Au4]'
_cell_volume [702.1579]
_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
[
  Pm  Pm0  4  0.0000  0.4314  0.3179  1
  Nd  Nd1  8  0.2465  0.3603  0.8038  1
  Nd  Nd2  4  0.0000  0.0733  0.7931  1
  Au  Au3  4  0.0000  0.2521  0.0668  1
]