# generated using pymatgen
data_ZrNi(OF)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.95120102
_cell_length_b   5.95120102
_cell_length_c   5.95120160
_cell_angle_alpha   96.01868810
_cell_angle_beta   96.01868810
_cell_angle_gamma   96.01869939
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrNi(OF)6
_chemical_formula_sum   'Zr1 Ni1 O6 F6'
_cell_volume   207.02021686
_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
  Zr  Zr0  1  0.00000000  0.00000000  0.00000000  1.0
  Ni  Ni1  1  0.50000000  0.50000000  0.50000000  1.0
  O  O2  1  0.78866300  0.44024000  0.60197300  1.0
  O  O3  1  0.44024000  0.60197300  0.78866300  1.0
  O  O4  1  0.60197300  0.78866300  0.44024000  1.0
  O  O5  1  0.21133700  0.55976000  0.39802700  1.0
  O  O6  1  0.55976000  0.39802700  0.21133700  1.0
  O  O7  1  0.39802700  0.21133700  0.55976000  1.0
  F  F8  1  0.71382400  0.81390500  0.07305000  1.0
  F  F9  1  0.81390500  0.07305000  0.71382400  1.0
  F  F10  1  0.07305000  0.71382400  0.81390500  1.0
  F  F11  1  0.28617600  0.18609500  0.92695000  1.0
  F  F12  1  0.18609500  0.92695000  0.28617600  1.0
  F  F13  1  0.92695000  0.28617600  0.18609500  1.0