data_[Hf10In4Fe4Hg2]
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
  Fe  1.8300  1.4000  0.8525
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [11.0266]
_cell_length_b [11.0266]
_cell_length_c [3.3050]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [127]
_chemical_formula_structural [Hf5In2Fe2Hg]
_chemical_formula_sum '[Hf10 In4 Fe4 Hg2]'
_cell_volume [401.8407]
_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  0.0703  0.2118  0.5000  1.0
  Hf  Hf1  2  0.0000  0.5000  0.5000  1.0
  In  In2  4  0.1748  0.6748  0.0000  1.0
  Fe  Fe3  4  0.1276  0.3724  0.0000  1.0
  Hg  Hg4  2  0.0000  0.0000  0.0000  1.0
]