data_[La4Hg5Ge2]
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/m]
_cell_length_a [8.0436]
_cell_length_b [4.1666]
_cell_length_c [9.3612]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.2378]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [La4Hg5Ge2]
_chemical_formula_sum '[La4 Hg5 Ge2]'
_cell_volume [312.8756]
_cell_formula_units_Z [1]
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  0.1955  0.5000  0.8532  1.0
  La  La1  2  0.2323  0.5000  0.4206  1.0
  Hg  Hg2  2  0.1465  0.0000  0.1300  1.0
  Hg  Hg3  2  0.4539  0.0000  0.6686  1.0
  Hg  Hg4  1  0.5000  0.0000  0.0000  1.0
  Ge  Ge5  2  0.0664  0.0000  0.6271  1.0
]