data_[Li6Ce3Pr3Hg12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ce  1.1200  1.8500  1.0800
  Pr  1.1300  1.8500  1.0600
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.1620]
_cell_length_b [5.1620]
_cell_length_c [25.3589]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Li2CePrHg4]
_chemical_formula_sum '[Li6 Ce3 Pr3 Hg12]'
_cell_volume [585.1876]
_cell_formula_units_Z [3]
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  6  0.0000  0.0000  0.2505  1
  Ce  Ce1  3  0.0000  0.0000  0.0000  1
  Pr  Pr2  3  -0.0000  -0.0000  0.5000  1
  Hg  Hg3  6  0.0000  0.0000  0.1238  1
  Hg  Hg4  6  0.0000  0.0000  0.3742  1
]