data_[Hf14In4Hg4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  In  1.7800  1.5500  0.9400
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.9076]
_cell_length_b [10.4443]
_cell_length_c [5.9046]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.9034]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Hf7(InHg)2]
_chemical_formula_sum '[Hf14 In4 Hg4]'
_cell_volume [506.0189]
_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
[
  Hf  Hf0  8  0.1794  0.2441  0.7136  1
  Hf  Hf1  4  0.1876  0.5000  0.9872  1
  Hf  Hf2  2  0.0000  0.0000  0.5000  1
  In  In3  4  0.0000  0.1422  0.0000  1
  Hg  Hg4  4  0.1486  0.5000  0.4462  1
]