# generated using pymatgen
data_KHf(NiAs)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.93512339
_cell_length_b   8.38752036
_cell_length_c   7.06446831
_cell_angle_alpha   92.44328755
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KHf(NiAs)2
_chemical_formula_sum   'K2 Hf2 Ni4 As4'
_cell_volume   232.95735656
_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
  K  K0  1  0.25000000  0.49903117  0.23833804  1.0
  K  K1  1  0.75000000  0.50096883  0.76166196  1.0
  Hf  Hf2  1  0.75000000  0.00929045  0.70423395  1.0
  Hf  Hf3  1  0.25000000  0.99070955  0.29576605  1.0
  Ni  Ni4  1  0.25000000  0.90045258  0.93309680  1.0
  Ni  Ni5  1  0.75000000  0.09954742  0.06690320  1.0
  Ni  Ni6  1  0.75000000  0.79943263  0.41997899  1.0
  Ni  Ni7  1  0.25000000  0.20056737  0.58002101  1.0
  As  As8  1  0.25000000  0.78189335  0.60033498  1.0
  As  As9  1  0.75000000  0.21810665  0.39966502  1.0
  As  As10  1  0.75000000  0.80666943  0.08980524  1.0
  As  As11  1  0.25000000  0.19333057  0.91019476  1.0