data_[Pm4Pd6Au16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Pd  2.2000  1.4000  0.8462
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.5829]
_cell_length_b [7.6009]
_cell_length_c [6.1046]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.7238]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pm2Pd3Au8]
_chemical_formula_sum '[Pm4 Pd6 Au16]'
_cell_volume [528.0626]
_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  4  0.2075  0.0000  0.8027  1
  Pd  Pd1  4  0.0000  0.1805  0.0000  1
  Pd  Pd2  2  0.0000  0.0000  0.5000  1
  Au  Au3  8  0.1174  0.3116  0.4456  1
  Au  Au4  4  0.0768  0.5000  0.8424  1
  Au  Au5  4  0.1946  0.0000  0.2743  1
]