data_[La4In6Hg4]
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 [11.5816]
_cell_length_b [4.7350]
_cell_length_c [7.2522]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.8371]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La2In3Hg2]
_chemical_formula_sum '[La4 In6 Hg4]'
_cell_volume [392.9758]
_cell_formula_units_Z [2]
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  0.1113  0.5000  0.3199  1.0
  In  In1  4  0.2029  0.5000  0.8683  1.0
  In  In2  2  0.0000  0.0000  0.0000  1.0
  Hg  Hg3  4  0.1076  0.0000  0.6421  1.0
]