data_[Cu6Hg2As4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  Hg  2.0000  1.5000  1.2450
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.1052]
_cell_length_b [5.8090]
_cell_length_c [18.4026]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Cu3HgAs2]
_chemical_formula_sum '[Cu6 Hg2 As4]'
_cell_volume [866.4574]
_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
[
  Cu  Cu0  4  0.4071  0.2262  0.4961  1
  Cu  Cu1  2  0.1677  0.5000  0.5271  1
  Hg  Hg2  2  0.4541  0.5000  0.6163  1
  As  As3  4  0.1550  0.2099  0.4317  1
]