data_[Zn1Cu1Hg2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  Cu  1.9000  1.3500  0.8200
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [3.3808]
_cell_length_b [4.5677]
_cell_length_c [5.1914]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.8209]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [ZnCuHg2]
_chemical_formula_sum '[Zn1 Cu1 Hg2]'
_cell_volume [79.7541]
_cell_formula_units_Z [1]
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
[
  Zn  Zn0  1  0.5000  0.5000  0.5000  1
  Cu  Cu1  1  0.0000  0.5000  0.0000  1
  Hg  Hg2  2  0.2468  0.0000  0.2460  1
]