data_[Cu2Hg2W4]
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
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.3174]
_cell_length_b [2.7358]
_cell_length_c [5.1892]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.0387]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [CuHgW2]
_chemical_formula_sum '[Cu2 Hg2 W4]'
_cell_volume [131.5382]
_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  0.0035  0.5000  0.5008  1
  Hg  Hg1  2  0.2513  0.5000  0.2682  1
  W  W2  2  0.0000  0.0000  0.9747  1
  W  W3  2  0.2452  0.0000  0.7563  1
]