# generated using pymatgen
data_Cu3NiF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.26894544
_cell_length_b   6.15579740
_cell_length_c   7.01611872
_cell_angle_alpha   76.29122938
_cell_angle_beta   114.31482865
_cell_angle_gamma   112.34545758
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu3NiF6
_chemical_formula_sum   'Cu3 Ni1 F6'
_cell_volume   190.93099917
_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
  Cu  Cu0  1  0.00000000  0.00000000  0.50000000  1.0
  Cu  Cu1  1  0.50000000  0.50000000  0.00000000  1.0
  Cu  Cu2  1  0.00000000  0.50000000  0.00000000  1.0
  Ni  Ni3  1  0.00000000  0.00000000  0.00000000  1.0
  F  F4  1  0.88263200  0.28003000  0.81967200  1.0
  F  F5  1  0.11736800  0.71997000  0.18032800  1.0
  F  F6  1  0.96123900  0.85861700  0.74994100  1.0
  F  F7  1  0.03876100  0.14138300  0.25005900  1.0
  F  F8  1  0.57564300  0.81466600  0.94553600  1.0
  F  F9  1  0.42435700  0.18533400  0.05446400  1.0