data_[La20Ga8Hg8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Ga  1.8100  1.3000  0.7600
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [17.1463]
_cell_length_b [8.1318]
_cell_length_c [7.9189]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [La5(GaHg)2]
_chemical_formula_sum '[La20 Ga8 Hg8]'
_cell_volume [1104.1421]
_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
[
  La  La0  16  0.1340  0.1864  0.6761  1.0
  La  La1  4  0.0000  0.0000  0.0000  1.0
  Ga  Ga2  8  0.0000  0.1149  0.3859  1.0
  Hg  Hg3  8  0.2167  0.0000  0.0000  1.0
]