data_[La8Ga4Hg8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Ga  1.8100  1.3000  0.7600
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.4628]
_cell_length_b [4.6781]
_cell_length_c [11.6395]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.1882]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La2GaHg2]
_chemical_formula_sum '[La8 Ga4 Hg8]'
_cell_volume [555.2016]
_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  4  0.0163  0.0000  0.3429  1
  La  La1  4  0.1869  0.0000  0.1106  1
  Ga  Ga2  4  0.2167  0.5000  0.3327  1
  Hg  Hg3  4  0.0316  0.5000  0.8841  1
  Hg  Hg4  4  0.1506  0.5000  0.5603  1
]