# generated using pymatgen
data_CaHf(NiAs)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.93166235
_cell_length_b   7.42996823
_cell_length_c   7.07551747
_cell_angle_alpha   92.77861844
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaHf(NiAs)2
_chemical_formula_sum   'Ca2 Hf2 Ni4 As4'
_cell_volume   206.44790308
_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
  Ca  Ca0  1  0.25000000  0.49805748  0.23553810  1.0
  Ca  Ca1  1  0.75000000  0.50194252  0.76446190  1.0
  Hf  Hf2  1  0.75000000  0.01500445  0.70524317  1.0
  Hf  Hf3  1  0.25000000  0.98499555  0.29475683  1.0
  Ni  Ni4  1  0.25000000  0.88856553  0.93365122  1.0
  Ni  Ni5  1  0.75000000  0.11143447  0.06634878  1.0
  Ni  Ni6  1  0.75000000  0.77252008  0.42485055  1.0
  Ni  Ni7  1  0.25000000  0.22747992  0.57514945  1.0
  As  As8  1  0.25000000  0.75400270  0.60403996  1.0
  As  As9  1  0.75000000  0.24599730  0.39596004  1.0
  As  As10  1  0.75000000  0.77136027  0.09117603  1.0
  As  As11  1  0.25000000  0.22863973  0.90882397  1.0