# generated using pymatgen
data_CaHf3(NiAs)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.93002346
_cell_length_b   3.93002202
_cell_length_c   14.73826945
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00001215
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaHf3(NiAs)4
_chemical_formula_sum   'Ca1 Hf3 Ni4 As4'
_cell_volume   197.13657093
_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
  Ca  Ca0  1  0.00000000  0.00000000  0.50000000  1.0
  Hf  Hf1  1  0.00000000  0.00000000  0.24499512  1.0
  Hf  Hf2  1  0.00000000  0.00000000  0.75500488  1.0
  Hf  Hf3  1  0.00000000  0.00000000  0.00000000  1.0
  Ni  Ni4  1  0.33333300  0.66666700  0.13858451  1.0
  Ni  Ni5  1  0.66666700  0.33333300  0.86141549  1.0
  Ni  Ni6  1  0.66666700  0.33333300  0.67259498  1.0
  Ni  Ni7  1  0.33333300  0.66666700  0.32740502  1.0
  As  As8  1  0.33333300  0.66666700  0.63282957  1.0
  As  As9  1  0.66666700  0.33333300  0.36717043  1.0
  As  As10  1  0.66666700  0.33333300  0.11004095  1.0
  As  As11  1  0.33333300  0.66666700  0.88995905  1.0