# generated using pymatgen
data_Hf3NiF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.82183954
_cell_length_b   4.95137311
_cell_length_c   12.05836487
_cell_angle_alpha   90.70131472
_cell_angle_beta   86.46719308
_cell_angle_gamma   133.25539138
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf3NiF6
_chemical_formula_sum   'Hf3 Ni1 F6'
_cell_volume   295.82432016
_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
  Hf  Hf0  1  0.00000000  0.00000000  0.50000000  1.0
  Hf  Hf1  1  0.50000000  0.50000000  0.00000000  1.0
  Hf  Hf2  1  0.00000000  0.50000000  0.00000000  1.0
  Ni  Ni3  1  0.00000000  0.00000000  0.00000000  1.0
  F  F4  1  0.05876900  0.55964600  0.84017700  1.0
  F  F5  1  0.94123100  0.44035400  0.15982300  1.0
  F  F6  1  0.92430800  0.91528800  0.65667200  1.0
  F  F7  1  0.07569200  0.08471200  0.34332800  1.0
  F  F8  1  0.51847100  0.58130200  0.84247300  1.0
  F  F9  1  0.48152900  0.41869800  0.15752700  1.0