data_[Co40Hg4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [7.7763]
_cell_length_b [3.4509]
_cell_length_c [29.2879]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.2270]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Co10Hg]
_chemical_formula_sum '[Co40 Hg4]'
_cell_volume [785.9425]
_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  0.0464  0.0000  0.1765  1
  Co  Co1  4  0.0499  0.0000  0.9051  1
  Co  Co2  4  0.0500  0.5000  0.0404  1
  Co  Co3  4  0.0509  0.5000  0.7694  1
  Co  Co4  4  0.1503  0.5000  0.1221  1
  Co  Co5  4  0.1504  0.0000  0.9865  1
  Co  Co6  4  0.1508  0.5000  0.8510  1
  Co  Co7  4  0.1521  0.0000  0.2550  1
  Co  Co8  4  0.2465  0.5000  0.2024  1
  Co  Co9  4  0.2496  0.0000  0.0679  1
  Hg  Hg10  4  0.1462  0.0000  0.6959  1
]