data_[Li20Pm16Hg24]
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
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.1333]
_cell_length_b [23.2494]
_cell_length_c [15.5097]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Li5(Pm2Hg3)2]
_chemical_formula_sum '[Li20 Pm16 Hg24]'
_cell_volume [1490.4285]
_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  0.0000  0.1775  0.6273  1
  Li  Li1  4  0.0000  0.3110  0.6182  1
  Li  Li2  4  0.0000  0.3284  0.2730  1
  Li  Li3  4  0.0000  0.3536  0.9756  1
  Li  Li4  4  0.0000  0.4597  0.6675  1
  Pm  Pm5  4  0.0000  0.0295  0.5093  1
  Pm  Pm6  4  0.0000  0.0479  0.7810  1
  Pm  Pm7  4  0.0000  0.1425  0.2911  1
  Pm  Pm8  4  0.0000  0.1792  0.9462  1
  Hg  Hg9  4  0.0000  0.0969  0.1008  1
  Hg  Hg10  4  0.0000  0.2218  0.4608  1
  Hg  Hg11  4  0.0000  0.2543  0.7781  1
  Hg  Hg12  4  0.0000  0.4109  0.1367  1
  Hg  Hg13  4  0.0000  0.4239  0.4363  1
  Hg  Hg14  4  0.0000  0.4509  0.8535  1
]