# generated using pymatgen
data_NbCrF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.76705063
_cell_length_b   5.76704977
_cell_length_c   5.96407278
_cell_angle_alpha   118.91310297
_cell_angle_beta   118.91309455
_cell_angle_gamma   89.99999519
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbCrF6
_chemical_formula_sum   'Nb1 Cr1 F6'
_cell_volume   144.74576345
_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
  Nb  Nb0  1  0.00000000  0.00000000  0.00000000  1.0
  Cr  Cr1  1  0.50000000  0.50000000  0.00000000  1.0
  F  F2  1  0.77677200  0.77677200  0.55354200  1.0
  F  F3  1  0.22322800  0.22322800  0.44645800  1.0
  F  F4  1  0.25151600  0.25151600  0.00000000  1.0
  F  F5  1  0.74848400  0.25151600  0.00000000  1.0
  F  F6  1  0.25151600  0.74848400  0.00000000  1.0
  F  F7  1  0.74848400  0.74848400  0.00000000  1.0