data_[La22Co8Hg18]
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 [Cmmm]
_cell_length_a [14.9747]
_cell_length_b [22.4107]
_cell_length_c [3.7658]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [La11Co4Hg9]
_chemical_formula_sum '[La22 Co8 Hg18]'
_cell_volume [1263.7787]
_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  8  0.2471  0.3341  0.0000  1
  La  La1  4  0.0000  0.1631  0.0000  1
  La  La2  4  0.0000  0.3748  0.0000  1
  La  La3  4  0.1887  0.5000  0.0000  1
  La  La4  2  0.0000  0.0000  0.0000  1
  Co  Co5  8  0.1510  0.3970  0.5000  1
  Hg  Hg6  8  0.1039  0.2631  0.5000  1
  Hg  Hg7  8  0.1473  0.0707  0.5000  1
  Hg  Hg8  2  0.0000  0.5000  0.5000  1
]