# generated using pymatgen
data_Ba4NbP4(O9F)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.37755500
_cell_length_b   7.52319462
_cell_length_c   8.66763672
_cell_angle_alpha   93.04497808
_cell_angle_beta   90.69770919
_cell_angle_gamma   90.76901415
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba4NbP4(O9F)2
_chemical_formula_sum   'Ba4 Nb1 P4 O18 F2'
_cell_volume   480.31544076
_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
  Ba  Ba0  1  0.66979400  0.15382000  0.69022300  1.0
  Ba  Ba1  1  0.69216000  0.36060200  0.21999600  1.0
  Ba  Ba2  1  0.30784000  0.63939800  0.78000400  1.0
  Ba  Ba3  1  0.33020600  0.84618000  0.30977700  1.0
  Nb  Nb4  1  0.00000000  0.00000000  0.00000000  1.0
  P  P5  1  0.78282400  0.64168200  0.81227000  1.0
  P  P6  1  0.81396500  0.86603500  0.33574500  1.0
  P  P7  1  0.18603500  0.13396500  0.66425500  1.0
  P  P8  1  0.21717600  0.35831800  0.18773000  1.0
  O  O9  1  0.92091700  0.55127500  0.69475700  1.0
  O  O10  1  0.96630900  0.92744200  0.22102500  1.0
  O  O11  1  0.92665400  0.73930200  0.92401900  1.0
  O  O12  1  0.91938500  0.80838700  0.47914900  1.0
  O  O13  1  0.75690000  0.07959300  0.99216000  1.0
  O  O14  1  0.67866900  0.49262000  0.89016100  1.0
  O  O15  1  0.69048700  0.02279200  0.38211400  1.0
  O  O16  1  0.65403100  0.77520700  0.74403600  1.0
  O  O17  1  0.69881900  0.71508900  0.25846600  1.0
  O  O18  1  0.30118100  0.28491100  0.74153400  1.0
  O  O19  1  0.34596900  0.22479300  0.25596400  1.0
  O  O20  1  0.30951300  0.97720800  0.61788600  1.0
  O  O21  1  0.32133100  0.50738000  0.10983900  1.0
  O  O22  1  0.24310000  0.92040700  0.00784000  1.0
  O  O23  1  0.08061500  0.19161300  0.52085100  1.0
  O  O24  1  0.07334600  0.26069800  0.07598100  1.0
  O  O25  1  0.03369100  0.07255800  0.77897500  1.0
  O  O26  1  0.07908300  0.44872500  0.30524300  1.0
  F  F27  1  0.69163000  0.41511400  0.51754000  1.0
  F  F28  1  0.30837000  0.58488600  0.48246000  1.0