data_[La4In12Hg8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  In  1.7800  1.5500  0.9400
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.5338]
_cell_length_b [4.9541]
_cell_length_c [8.6380]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.3581]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LaIn3Hg2]
_chemical_formula_sum '[La4 In12 Hg8]'
_cell_volume [653.9769]
_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  4  0.1328  0.0000  0.1007  1.0
  In  In1  4  0.0436  0.0000  0.3893  1.0
  In  In2  4  0.1226  0.5000  0.7050  1.0
  In  In3  4  0.1994  0.5000  0.4327  1.0
  Hg  Hg4  4  0.0063  0.5000  0.1717  1.0
  Hg  Hg5  4  0.2325  0.0000  0.8435  1.0
]