data_[La16Co4Hg4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Co  1.8800  1.3500  0.7683
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.0047]
_cell_length_b [14.4008]
_cell_length_c [6.3297]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.8550]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [La4CoHg]
_chemical_formula_sum '[La16 Co4 Hg4]'
_cell_volume [732.2846]
_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  8  0.1178  0.1872  0.5833  1.0
  La  La1  8  0.2421  0.4348  0.8422  1.0
  Co  Co2  4  0.0000  0.0126  0.7500  1.0
  Hg  Hg3  4  0.0000  0.3805  0.2500  1.0
]