data_[La4Hg2Ge2]
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 [P2_1/m]
_cell_length_a [6.3644]
_cell_length_b [4.4451]
_cell_length_c [8.9672]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.9365]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [La2HgGe]
_chemical_formula_sum '[La4 Hg2 Ge2]'
_cell_volume [239.9526]
_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  2  0.2169  0.2500  0.4341  1.0
  La  La1  2  0.3028  0.7500  0.0748  1.0
  Hg  Hg2  2  0.1334  0.2500  0.7899  1.0
  Ge  Ge3  2  0.3798  0.7500  0.7073  1.0
]