data_[Pm12Cu12Au8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Cu  1.9000  1.3500  0.8200
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.4133]
_cell_length_b [10.6359]
_cell_length_c [14.8426]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Pm3Cu3Au2]
_chemical_formula_sum '[Pm12 Cu12 Au8]'
_cell_volume [696.7020]
_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  8  0.0000  0.0918  0.6008  1
  Pm  Pm1  4  0.0000  0.3660  0.7500  1
  Cu  Cu2  8  0.0000  0.3972  0.5394  1
  Cu  Cu3  4  0.0000  0.3533  0.2500  1
  Au  Au4  8  0.0000  0.2021  0.1054  1
]