data_[Pm12Cu4Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Cu  1.9000  1.3500  0.8200
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.2281]
_cell_length_b [3.8739]
_cell_length_c [10.0951]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.2021]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pm3CuAu]
_chemical_formula_sum '[Pm12 Cu4 Au4]'
_cell_volume [536.9534]
_cell_formula_units_Z [4]
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  0.0826  0.5000  0.1624  1
  Pm  Pm1  4  0.1318  0.0000  0.4910  1
  Pm  Pm2  4  0.1474  0.0000  0.8791  1
  Cu  Cu3  4  0.0352  0.5000  0.6373  1
  Au  Au4  4  0.2477  0.5000  0.7271  1
]