data_[La16Co4Hg2]
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/m]
_cell_length_a [15.0716]
_cell_length_b [7.1355]
_cell_length_c [6.5360]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.7983]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La8Co2Hg]
_chemical_formula_sum '[La16 Co4 Hg2]'
_cell_volume [697.9624]
_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  0.1299  0.2381  0.3801  1.0
  La  La1  4  0.0795  0.5000  0.8214  1.0
  La  La2  4  0.2038  0.0000  0.8838  1.0
  Co  Co3  4  0.2276  0.5000  0.6716  1.0
  Hg  Hg4  2  0.0000  0.0000  0.0000  1.0
]