data_[La24Hg4Ge8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Hg  2.0000  1.5000  1.2450
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [10.1998]
_cell_length_b [10.4185]
_cell_length_c [10.6984]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [La6HgGe2]
_chemical_formula_sum '[La24 Hg4 Ge8]'
_cell_volume [1136.8843]
_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  0.1997  0.2536  1
  La  La1  8  0.2038  0.5000  0.1705  1
  La  La2  8  0.2287  0.3250  0.5000  1
  Hg  Hg3  2  0.0000  0.0000  0.0000  1
  Hg  Hg4  2  0.0000  0.0000  0.5000  1
  Ge  Ge5  4  0.0000  0.3484  0.0000  1
  Ge  Ge6  4  0.0000  0.5000  0.3807  1
]