data_[La20Co4Hg8Cl4]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.9135]
_cell_length_b [17.8918]
_cell_length_c [11.8922]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [La5CoHg2Cl]
_chemical_formula_sum '[La20 Co4 Hg8 Cl4]'
_cell_volume [1045.4735]
_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  0.0000  0.0478  0.0108  1.0
  La  La1  4  0.0000  0.3037  0.3589  1.0
  La  La2  4  0.0000  0.3055  0.6579  1.0
  La  La3  4  0.0000  0.3811  0.0089  1.0
  La  La4  4  0.0000  0.4989  0.2597  1.0
  Co  Co5  4  0.0000  0.4355  0.5030  1.0
  Hg  Hg6  4  0.0000  0.1177  0.3182  1.0
  Hg  Hg7  4  0.0000  0.1196  0.6980  1.0
  Cl  Cl8  4  0.0000  0.2173  0.0086  1.0
]