data_[La12In12Hg8]
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 [Cmcm]
_cell_length_a [4.9319]
_cell_length_b [11.5915]
_cell_length_c [16.2319]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [La3In3Hg2]
_chemical_formula_sum '[La12 In12 Hg8]'
_cell_volume [927.9493]
_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  0.0919  0.6079  1
  La  La1  4  0.0000  0.3515  0.7500  1
  In  In2  8  0.0000  0.3868  0.5395  1
  In  In3  4  0.0000  0.3628  0.2500  1
  Hg  Hg4  8  0.0000  0.2058  0.1053  1
]