# generated using pymatgen
data_HfAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.78670151
_cell_length_b   3.78670160
_cell_length_c   12.68227822
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000801
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfAs
_chemical_formula_sum   'Hf4 As4'
_cell_volume   157.48892891
_cell_formula_units_Z   4
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  0.33333300  0.66666700  0.38307015  1.0
  Hf  Hf1  1  0.66666700  0.33333300  0.88307015  1.0
  Hf  Hf2  1  0.66666700  0.33333300  0.61692985  1.0
  Hf  Hf3  1  0.33333300  0.66666700  0.11692985  1.0
  As  As4  1  0.66666700  0.33333300  0.25000000  1.0
  As  As5  1  0.33333300  0.66666700  0.75000000  1.0
  As  As6  1  0.00000000  -0.00000000  0.50000000  1.0
  As  As7  1  0.00000000  -0.00000000  -0.00000000  1.0