# generated using pymatgen
data_Ba2CaCu3F14
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.40272341
_cell_length_b   7.41428628
_cell_length_c   14.89421322
_cell_angle_alpha   91.55899822
_cell_angle_beta   90.12726004
_cell_angle_gamma   111.14000294
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2CaCu3F14
_chemical_formula_sum   'Ba4 Ca2 Cu6 F28'
_cell_volume   556.21869688
_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  0.12921500  0.38504800  0.62214500  1.0
  Ba  Ba1  1  0.25821200  0.38603200  0.12332100  1.0
  Ba  Ba2  1  0.87071900  0.61432400  0.37780100  1.0
  Ba  Ba3  1  0.74593400  0.61500700  0.87864400  1.0
  Ca  Ca4  1  0.41680400  0.99918600  0.74998600  1.0
  Ca  Ca5  1  0.58144600  0.99668900  0.25046300  1.0
  Cu  Cu6  1  0.09718500  0.23877500  0.87581400  1.0
  Cu  Cu7  1  0.90168500  0.75950800  0.12514700  1.0
  Cu  Cu8  1  0.14204100  0.23980000  0.37557500  1.0
  Cu  Cu9  1  0.85848000  0.75922200  0.62583900  1.0
  Cu  Cu10  1  0.50225200  0.00118500  0.99967200  1.0
  Cu  Cu11  1  0.49960400  0.99962000  0.50063300  1.0
  F  F12  1  0.92063100  0.97939000  0.34557200  1.0
  F  F13  1  0.87081200  0.26345100  0.45564900  1.0
  F  F14  1  0.12763900  0.73570400  0.54521800  1.0
  F  F15  1  0.66611800  0.49471400  0.59475100  1.0
  F  F16  1  0.61014700  0.11131600  0.61459300  1.0
  F  F17  1  0.49964600  0.88867900  0.88531000  1.0
  F  F18  1  0.39551200  0.25672700  0.95547900  1.0
  F  F19  1  0.94193700  0.01611200  0.15568400  1.0
  F  F20  1  0.35900700  0.31872400  0.77896300  1.0
  F  F21  1  0.33465800  0.50341500  0.40809900  1.0
  F  F22  1  0.82587900  0.24667000  0.79160300  1.0
  F  F23  1  0.17074600  0.50311100  0.90844500  1.0
  F  F24  1  0.41862800  0.24436900  0.29215800  1.0
  F  F25  1  0.17361800  0.75125700  0.21056300  1.0
  F  F26  1  0.50406800  0.11309500  0.11516500  1.0
  F  F27  1  0.63394600  0.67900400  0.22478300  1.0
  F  F28  1  0.14344800  0.83710400  0.02148300  1.0
  F  F29  1  0.07934000  0.02020200  0.65579200  1.0
  F  F30  1  0.86933700  0.16891400  0.98228800  1.0
  F  F31  1  0.69210100  0.83249600  0.52198200  1.0
  F  F32  1  0.60331100  0.73991500  0.04390200  1.0
  F  F33  1  0.58336000  0.75382000  0.71006000  1.0
  F  F34  1  0.95791300  0.31755700  0.27698100  1.0
  F  F35  1  0.30462000  0.16553000  0.48012700  1.0
  F  F36  1  0.38954000  0.88848100  0.38674000  1.0
  F  F37  1  0.05754500  0.97903300  0.84463000  1.0
  F  F38  1  0.04592000  0.68135800  0.72386000  1.0
  F  F39  1  0.83225500  0.49986200  0.09263000  1.0