data_[La24Ga8Hg4]
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 [Immm]
_cell_length_a [10.2141]
_cell_length_b [10.2404]
_cell_length_c [10.8969]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [La6Ga2Hg]
_chemical_formula_sum '[La24 Ga8 Hg4]'
_cell_volume [1139.7752]
_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  8  0.0000  0.2911  0.3264  1.0
  La  La1  8  0.1782  0.2743  0.0000  1.0
  La  La2  8  0.1996  0.0000  0.2499  1.0
  Ga  Ga3  4  0.0000  0.5000  0.1205  1.0
  Ga  Ga4  4  0.1412  0.5000  0.5000  1.0
  Hg  Hg5  2  0.0000  0.0000  0.0000  1.0
  Hg  Hg6  2  0.0000  0.0000  0.5000  1.0
]