data_[Hf2As2W2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  As  2.1800  1.1500  0.6600
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [5.3808]
_cell_length_b [3.3693]
_cell_length_c [6.5542]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.3414]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [HfAsW]
_chemical_formula_sum '[Hf2 As2 W2]'
_cell_volume [110.6791]
_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  1  0.0095  0.5000  0.8587  1
  Hf  Hf1  1  0.2459  0.5000  0.4875  1
  As  As2  1  0.6673  0.0000  0.5393  1
  As  As3  1  0.9675  0.0000  0.1713  1
  W  W4  1  0.4770  0.0000  0.8706  1
  W  W5  1  0.6141  0.5000  0.2133  1
]