data_[Pm6Bi3Au48]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Bi  2.0200  1.6000  1.0350
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [9.8193]
_cell_length_b [9.8193]
_cell_length_c [14.2356]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Pm2BiAu16]
_chemical_formula_sum '[Pm6 Bi3 Au48]'
_cell_volume [1188.6862]
_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  0.3696  1
  Pm  Pm1  3  0.0000  0.0000  0.6915  1
  Bi  Bi2  3  0.0000  0.0000  0.9416  1
  Au  Au3  18  0.0004  0.3242  0.6557  1
  Au  Au4  9  0.0118  0.5059  0.4939  1
  Au  Au5  9  0.0124  0.5062  0.1550  1
  Au  Au6  9  0.1679  0.3358  0.1521  1
  Au  Au7  3  0.0000  0.0000  0.1598  1
]