data_[Pm3Mg3Ge6Au12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Mg  1.3100  1.5000  0.8600
  Ge  2.0100  1.2500  0.7700
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.6613]
_cell_length_b [4.6613]
_cell_length_c [25.3625]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [PmMg(GeAu2)2]
_chemical_formula_sum '[Pm3 Mg3 Ge6 Au12]'
_cell_volume [477.2493]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.0000  1
  Mg  Mg1  3  -0.0000  -0.0000  0.5000  1
  Ge  Ge2  6  0.0000  0.0000  0.2514  1
  Au  Au3  6  0.0000  0.0000  0.1379  1
  Au  Au4  6  0.0000  0.0000  0.3928  1
]