# generated using pymatgen
data_Ba2Ni2F11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.60116389
_cell_length_b   7.60116389
_cell_length_c   13.93896200
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999908
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2Ni2F11
_chemical_formula_sum   'Ba6 Ni6 F33'
_cell_volume   697.46314437
_cell_formula_units_Z   3
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  0.53000600  0.18136700  0.67569500  1.0
  Ba  Ba1  1  0.15370800  0.47749900  0.82763100  1.0
  Ba  Ba2  1  0.65136100  0.46999400  0.00902900  1.0
  Ba  Ba3  1  0.52250100  0.67620900  0.49429700  1.0
  Ba  Ba4  1  0.32379100  0.84629200  0.16096400  1.0
  Ba  Ba5  1  0.81863300  0.34863900  0.34236200  1.0
  Ni  Ni6  1  0.64928600  0.97589300  0.88180800  1.0
  Ni  Ni7  1  0.85634400  0.77511700  0.72628800  1.0
  Ni  Ni8  1  0.22488300  0.08122700  0.39295400  1.0
  Ni  Ni9  1  0.32660700  0.35071400  0.21514100  1.0
  Ni  Ni10  1  0.91877300  0.14365600  0.05962100  1.0
  Ni  Ni11  1  0.02410700  0.67339300  0.54847500  1.0
  F  F12  1  0.63210800  0.05091900  0.01548600  1.0
  F  F13  1  0.51882900  0.71166200  0.93027800  1.0
  F  F14  1  0.41881000  0.36789200  0.34881900  1.0
  F  F15  1  0.10922100  0.50531500  0.48601800  1.0
  F  F16  1  0.51862000  0.26995800  0.18122600  1.0
  F  F17  1  0.93730400  0.60485900  0.18539100  1.0
  F  F18  1  0.49468500  0.60390600  0.15268500  1.0
  F  F19  1  0.39514100  0.33244500  0.85205800  1.0
  F  F20  1  0.75133700  0.48138000  0.51456000  1.0
  F  F21  1  0.20825800  0.26768400  0.08966300  1.0
  F  F22  1  0.39609400  0.89077900  0.81935200  1.0
  F  F23  1  0.94908100  0.58119000  0.68215300  1.0
  F  F24  1  0.32786900  0.04338700  0.99904600  1.0
  F  F25  1  0.99230200  0.41456800  0.01419000  1.0
  F  F26  1  0.71551800  0.67213100  0.33237900  1.0
  F  F27  1  0.28833800  0.80716700  0.59694500  1.0
  F  F28  1  0.93682800  0.09163600  0.92099400  1.0
  F  F29  1  0.05942600  0.79174200  0.42299600  1.0
  F  F30  1  0.01207600  0.12660300  0.40589900  1.0
  F  F31  1  0.95661300  0.28448200  0.66571300  1.0
  F  F32  1  0.11452600  0.98792400  0.73923300  1.0
  F  F33  1  0.58543200  0.57773500  0.68085600  1.0
  F  F34  1  0.42226500  0.00769800  0.34752300  1.0
  F  F35  1  0.15480800  0.06317200  0.25432700  1.0
  F  F36  1  0.73231600  0.94057400  0.75632900  1.0
  F  F37  1  0.73004200  0.24866300  0.84789300  1.0
  F  F38  1  0.19283300  0.48117100  0.26361200  1.0
  F  F39  1  0.83718200  0.66816800  0.84645200  1.0
  F  F40  1  0.83098700  0.16281800  0.17978500  1.0
  F  F41  1  0.87339700  0.88547400  0.07256600  1.0
  F  F42  1  0.66755500  0.06269600  0.51872500  1.0
  F  F43  1  0.90836400  0.84519200  0.58766100  1.0
  F  F44  1  0.33183200  0.16901300  0.51311900  1.0