# generated using pymatgen
data_Ta2Ni(NF2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.17220167
_cell_length_b   9.17220167
_cell_length_c   9.17220167
_cell_angle_alpha   60.00000000
_cell_angle_beta   60.00000000
_cell_angle_gamma   60.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2Ni(NF2)6
_chemical_formula_sum   'Ta2 Ni1 N6 F12'
_cell_volume   545.63948132
_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
  Ta  Ta0  1  0.75000000  0.75000000  0.75000000  1.0
  Ta  Ta1  1  0.25000000  0.25000000  0.25000000  1.0
  Ni  Ni2  1  0.50000000  0.50000000  0.50000000  1.0
  N  N3  1  0.65631300  0.65631300  0.34368700  1.0
  N  N4  1  0.34368700  0.65631300  0.34368700  1.0
  N  N5  1  0.65631300  0.34368700  0.34368700  1.0
  N  N6  1  0.34368700  0.34368700  0.65631300  1.0
  N  N7  1  0.65631300  0.34368700  0.65631300  1.0
  N  N8  1  0.34368700  0.65631300  0.65631300  1.0
  F  F9  1  0.89839600  0.89839600  0.60160400  1.0
  F  F10  1  0.60160400  0.89839600  0.60160400  1.0
  F  F11  1  0.89839600  0.60160400  0.60160400  1.0
  F  F12  1  0.60160400  0.60160400  0.89839600  1.0
  F  F13  1  0.89839600  0.60160400  0.89839600  1.0
  F  F14  1  0.60160400  0.89839600  0.89839600  1.0
  F  F15  1  0.10160400  0.10160400  0.39839600  1.0
  F  F16  1  0.39839600  0.10160400  0.39839600  1.0
  F  F17  1  0.10160400  0.39839600  0.39839600  1.0
  F  F18  1  0.39839600  0.39839600  0.10160400  1.0
  F  F19  1  0.10160400  0.39839600  0.10160400  1.0
  F  F20  1  0.39839600  0.10160400  0.10160400  1.0