data_[Hf18Mo8As2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Mo  2.1600  1.4500  0.7750
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [8.6717]
_cell_length_b [8.6717]
_cell_length_c [8.6628]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [194]
_chemical_formula_structural [Hf9Mo4As]
_chemical_formula_sum '[Hf18 Mo8 As2]'
_cell_volume [564.1529]
_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  12  0.1960  0.3920  0.0441  1
  Hf  Hf1  6  0.0799  0.5400  0.7500  1
  Mo  Mo2  6  0.1101  0.2202  0.7500  1
  Mo  Mo3  2  0.0000  0.0000  0.0000  1
  As  As4  2  0.3333  0.6667  0.2500  1
]