data_[Hf1Mo5W4]
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
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.1949]
_cell_length_b [3.1949]
_cell_length_c [16.1621]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [HfMo5W4]
_chemical_formula_sum '[Hf1 Mo5 W4]'
_cell_volume [164.9755]
_cell_formula_units_Z [1]
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  0.0000  0.0000  0.0000  1.0
  Mo  Mo1  2  0.5000  0.5000  0.1105  1.0
  Mo  Mo2  2  0.5000  0.5000  0.3049  1.0
  Mo  Mo3  1  0.5000  0.5000  0.5000  1.0
  W  W4  2  0.0000  0.0000  0.2039  1.0
  W  W5  2  0.0000  0.0000  0.4014  1.0
]