data_[Pm6Be9Cu36Au3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Be  1.5700  1.0500  0.5900
  Cu  1.9000  1.3500  0.8200
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.4467]
_cell_length_b [7.4467]
_cell_length_c [18.6473]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Pm2Be3Cu12Au]
_chemical_formula_sum '[Pm6 Be9 Cu36 Au3]'
_cell_volume [895.5265]
_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  6  0.0000  0.0000  0.3948  1
  Be  Be1  9  0.0000  0.5000  0.5000  1
  Cu  Cu2  18  0.0296  0.5148  0.3850  1
  Cu  Cu3  18  0.0361  0.5180  0.8571  1
  Au  Au4  3  0.0000  0.0000  0.0000  1
]