data_[La6Pm6Au6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Pm  1.1300  1.8500  1.1100
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.5526]
_cell_length_b [5.0582]
_cell_length_c [14.1917]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.5065]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [LaPmAu]
_chemical_formula_sum '[La6 Pm6 Au6]'
_cell_volume [541.6498]
_cell_formula_units_Z [6]
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
[
  La  La0  2  0.0043  0.2500  0.2852  1
  La  La1  2  0.3913  0.2500  0.0787  1
  La  La2  2  0.4842  0.2500  0.3764  1
  Pm  Pm3  2  0.0441  0.7500  0.0863  1
  Pm  Pm4  2  0.1409  0.7500  0.4527  1
  Pm  Pm5  2  0.3380  0.2500  0.7786  1
  Au  Au6  2  0.2119  0.7500  0.9008  1
  Au  Au7  2  0.2575  0.2500  0.5621  1
  Au  Au8  2  0.2797  0.7500  0.2567  1
]