data_[In12Cu2Hg6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Cu  1.9000  1.3500  0.8200
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.3999]
_cell_length_b [7.5343]
_cell_length_c [10.6861]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.9324]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [In6CuHg3]
_chemical_formula_sum '[In12 Cu2 Hg6]'
_cell_volume [540.2638]
_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
[
  In  In0  4  0.0684  0.0444  0.2640  1
  In  In1  4  0.1557  0.6777  0.0500  1
  In  In2  4  0.3470  0.1326  0.0318  1
  Cu  Cu3  2  0.0000  0.0000  0.0000  1
  Hg  Hg4  4  0.3801  0.1280  0.7593  1
  Hg  Hg5  2  0.5000  0.0000  0.5000  1
]