data_[Co4Sn16Hg4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Co  1.8800  1.3500  0.7683
  Sn  1.9600  1.4500  0.8300
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.5271]
_cell_length_b [10.6599]
_cell_length_c [5.7181]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.9771]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [CoSn4Hg]
_chemical_formula_sum '[Co4 Sn16 Hg4]'
_cell_volume [575.1024]
_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
[
  Co  Co0  4  0.0000  0.0017  0.7500  1.0
  Sn  Sn1  8  0.0969  0.1991  0.0244  1.0
  Sn  Sn2  8  0.2298  0.0923  0.5548  1.0
  Hg  Hg3  4  0.0000  0.4395  0.7500  1.0
]