data_[Cu2Hg4Sb2]
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
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [7.7152]
_cell_length_b [3.4718]
_cell_length_c [7.4018]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.7113]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [CuHg2Sb]
_chemical_formula_sum '[Cu2 Hg4 Sb2]'
_cell_volume [192.6119]
_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  2  0.2419  0.5000  0.2706  1
  Hg  Hg1  2  0.0215  0.0000  0.0361  1
  Hg  Hg2  2  0.2591  0.0000  0.7514  1
  Sb  Sb3  2  0.4776  0.0000  0.4420  1
]