data_[Tb4Pm12Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Pm  1.1300  1.8500  1.1100
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.7095]
_cell_length_b [8.7020]
_cell_length_c [8.0029]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.4504]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TbPm3Au]
_chemical_formula_sum '[Tb4 Pm12 Au4]'
_cell_volume [664.2900]
_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
[
  Tb  Tb0  4  0.0771  0.0000  0.7694  1
  Pm  Pm1  8  0.1923  0.2003  0.2154  1
  Pm  Pm2  4  0.0428  0.5000  0.8091  1
  Au  Au3  4  0.2246  0.0000  0.5669  1
]