# generated using pymatgen
data_W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.47321458
_cell_length_b   4.47321458
_cell_length_c   45.59567535
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   W
_chemical_formula_sum   W22
_cell_volume   790.12126152
_cell_formula_units_Z   22
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
  W  W1  1  0.833845  0.917008  0.311456  1
  W  W2  1  0.167179  0.583675  0.292135  1
  W  W3  1  0.167179  0.583675  0.350917  1
  W  W4  1  0.500512  0.250341  0.329810  1
  W  W5  1  0.500512  0.250341  0.390575  1
  W  W6  1  0.833845  0.917008  0.370706  1
  W  W7  1  0.833845  0.917008  0.430802  1
  W  W8  1  0.167179  0.583675  0.410841  1
  W  W9  1  0.167179  0.583675  0.470926  1
  W  W10  1  0.500512  0.250341  0.450845  1
  W  W11  1  0.500512  0.250341  0.511016  1
  W  W12  1  0.833845  0.917008  0.490959  1
  W  W13  1  0.833845  0.917008  0.551130  1
  W  W14  1  0.167179  0.583675  0.531049  1
  W  W15  1  0.167179  0.583675  0.591134  1
  W  W16  1  0.500512  0.250341  0.571173  1
  W  W17  1  0.500512  0.250341  0.631269  1
  W  W18  1  0.833845  0.917008  0.611400  1
  W  W19  1  0.833845  0.917008  0.672165  1
  W  W20  1  0.167179  0.583675  0.651058  1
  W  W21  1  0.167179  0.583675  0.709840  1
  W  W22  1  0.500512  0.250341  0.690519  1
