data_[La4Hg1Ge1I2]
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
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.9378]
_cell_length_b [4.4804]
_cell_length_c [8.0164]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.4426]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [La4HgGeI2]
_chemical_formula_sum '[La4 Hg1 Ge1 I2]'
_cell_volume [270.4537]
_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  0.2116  0.5000  0.2257  1.0
  La  La1  2  0.2205  0.0000  0.7499  1.0
  Hg  Hg2  1  0.0000  0.5000  0.5000  1.0
  Ge  Ge3  1  0.0000  0.0000  0.0000  1.0
  I  I4  1  0.5000  0.0000  0.5000  1.0
  I  I5  1  0.5000  0.5000  0.0000  1.0
]