data_[Li8Pm6Au8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Pm  1.1300  1.8500  1.1100
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.8242]
_cell_length_b [4.3206]
_cell_length_c [28.7767]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Li4Pm3Au4]
_chemical_formula_sum '[Li8 Pm6 Au8]'
_cell_volume [475.4697]
_cell_formula_units_Z [2]
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
[
  Li  Li0  4  0.0000  0.0000  0.2511  1
  Li  Li1  4  0.0000  0.5000  0.4060  1
  Pm  Pm2  4  0.0000  0.5000  0.1433  1
  Pm  Pm3  2  0.0000  0.0000  0.0000  1
  Au  Au4  4  0.0000  0.0000  0.4500  1
  Au  Au5  4  0.0000  0.5000  0.3139  1
]