data_[Co2Cu2Hg4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Co  1.8800  1.3500  0.7683
  Cu  1.9000  1.3500  0.8200
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [10.1039]
_cell_length_b [2.9514]
_cell_length_c [4.7235]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.0078]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [CoCuHg2]
_chemical_formula_sum '[Co2 Cu2 Hg4]'
_cell_volume [133.9594]
_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
[
  Co  Co0  2  0.4779  0.0000  0.5354  1
  Cu  Cu1  2  0.2785  0.5000  0.2258  1
  Hg  Hg2  2  0.0150  0.0000  0.0539  1
  Hg  Hg3  2  0.2287  0.0000  0.6849  1
]