data_[La16Mg4Hg2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Mg  1.3100  1.5000  0.8600
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.0466]
_cell_length_b [5.6641]
_cell_length_c [9.0165]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.4132]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La8Mg2Hg]
_chemical_formula_sum '[La16 Mg4 Hg2]'
_cell_volume [742.9739]
_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  4  0.0726  0.0000  0.7229  1
  La  La1  4  0.0886  0.5000  0.4435  1
  La  La2  4  0.1344  0.0000  0.1825  1
  La  La3  4  0.1808  0.5000  0.9481  1
  Mg  Mg4  4  0.2301  0.0000  0.6132  1
  Hg  Hg5  2  0.0000  0.5000  0.0000  1
]