# generated using pymatgen
data_Ba2CaCuNi2F14
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.40124500
_cell_length_b   7.37713042
_cell_length_c   14.88012529
_cell_angle_alpha   91.94929723
_cell_angle_beta   90.38627642
_cell_angle_gamma   111.11701354
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2CaCuNi2F14
_chemical_formula_sum   'Ba4 Ca2 Cu2 Ni4 F28'
_cell_volume   552.65817008
_cell_formula_units_Z   2
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  0.13317200  0.38341300  0.62520700  1.0
  Ba  Ba1  1  0.24624500  0.38345400  0.12177300  1.0
  Ba  Ba2  1  0.86826800  0.61209600  0.37861800  1.0
  Ba  Ba3  1  0.74963000  0.61160000  0.87610300  1.0
  Ca  Ca4  1  0.42061700  0.00604700  0.75235200  1.0
  Ca  Ca5  1  0.58235800  0.00450600  0.25176600  1.0
  Cu  Cu6  1  0.49883100  0.00497500  0.99988800  1.0
  Cu  Cu7  1  0.50117600  0.00077500  0.50058700  1.0
  Ni  Ni8  1  0.10104600  0.23704700  0.87583900  1.0
  Ni  Ni9  1  0.89889700  0.76183500  0.12444800  1.0
  Ni  Ni10  1  0.14104500  0.24091100  0.37591500  1.0
  Ni  Ni11  1  0.85835500  0.75961600  0.62501900  1.0
  F  F12  1  0.93189600  0.98873200  0.34572200  1.0
  F  F13  1  0.87430500  0.26574600  0.45479900  1.0
  F  F14  1  0.12647300  0.73535600  0.54607800  1.0
  F  F15  1  0.67065100  0.49963800  0.59135700  1.0
  F  F16  1  0.61290600  0.11053000  0.61591300  1.0
  F  F17  1  0.49859400  0.88623200  0.88515200  1.0
  F  F18  1  0.39150400  0.23918100  0.95688900  1.0
  F  F19  1  0.94468300  0.01712100  0.15733900  1.0
  F  F20  1  0.37238500  0.31931900  0.77548200  1.0
  F  F21  1  0.32963600  0.49605200  0.40611600  1.0
  F  F22  1  0.83139400  0.24685700  0.79215400  1.0
  F  F23  1  0.18024900  0.50124100  0.91128600  1.0
  F  F24  1  0.41278600  0.24510100  0.29313300  1.0
  F  F25  1  0.16715100  0.75210700  0.20543200  1.0
  F  F26  1  0.49862100  0.11207600  0.11758700  1.0
  F  F27  1  0.63981900  0.68443500  0.22222400  1.0
  F  F28  1  0.13219900  0.83170700  0.02008300  1.0
  F  F29  1  0.07309400  0.01561800  0.65519500  1.0
  F  F30  1  0.86374600  0.16640100  0.98502000  1.0
  F  F31  1  0.69664800  0.83057100  0.51713500  1.0
  F  F32  1  0.60582400  0.74808400  0.04586300  1.0
  F  F33  1  0.58473400  0.75372000  0.70540800  1.0
  F  F34  1  0.95228700  0.32012200  0.27574300  1.0
  F  F35  1  0.30552500  0.16801700  0.48344700  1.0
  F  F36  1  0.38808600  0.88621600  0.38498200  1.0
  F  F37  1  0.05439200  0.97579000  0.84249800  1.0
  F  F38  1  0.04385900  0.68127800  0.72200300  1.0
  F  F39  1  0.82032300  0.50094200  0.09009900  1.0