data_[Li4Pm12Au4]
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 [P2_1/c]
_cell_length_a [8.3197]
_cell_length_b [6.1095]
_cell_length_c [11.3347]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.9662]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [LiPm3Au]
_chemical_formula_sum '[Li4 Pm12 Au4]'
_cell_volume [573.0115]
_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
[
  Li  Li0  4  0.1611  0.5694  0.9537  1
  Pm  Pm1  4  0.1231  0.5579  0.2430  1
  Pm  Pm2  4  0.1996  0.0582  0.0644  1
  Pm  Pm3  4  0.4594  0.1563  0.3483  1
  Au  Au4  4  0.4310  0.6693  0.3998  1
]