# generated using pymatgen data_Ba2CaCuSn2F14 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.61342600 _cell_length_b 7.78880048 _cell_length_c 15.64661096 _cell_angle_alpha 91.56829982 _cell_angle_beta 90.29226937 _cell_angle_gamma 110.82005730 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2CaCuSn2F14 _chemical_formula_sum 'Ba4 Ca2 Cu2 Sn4 F28' _cell_volume 639.10807042 _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 0.08627400 0.34943200 0.62161000 1.0 Ba Ba1 1 0.26354300 0.35212300 0.12703600 1.0 Ba Ba2 1 0.90114200 0.63325800 0.37510300 1.0 Ba Ba3 1 0.73153700 0.63486600 0.87563200 1.0 Ca Ca4 1 0.44016700 0.00938100 0.75300600 1.0 Ca Ca5 1 0.57345300 0.01714900 0.25403600 1.0 Cu Cu6 1 0.51130100 0.00894800 0.99973600 1.0 Cu Cu7 1 0.49927300 0.01045100 0.49925400 1.0 Sn Sn8 1 0.08520000 0.24110300 0.87900200 1.0 Sn Sn9 1 0.16032700 0.23873400 0.37953800 1.0 Sn Sn10 1 0.90155400 0.75391700 0.12382400 1.0 Sn Sn11 1 0.85106600 0.75450200 0.62386700 1.0 F F12 1 0.86275200 0.95657400 0.33565600 1.0 F F13 1 0.87658600 0.31688400 0.45823900 1.0 F F14 1 0.10863800 0.69475400 0.54983100 1.0 F F15 1 0.62931400 0.49173200 0.60593200 1.0 F F16 1 0.62904600 0.07219000 0.61786700 1.0 F F17 1 0.55392500 0.92155600 0.88359200 1.0 F F18 1 0.43399200 0.31749300 0.95537600 1.0 F F19 1 0.91082200 0.00742600 0.15623400 1.0 F F20 1 0.36283400 0.32355400 0.77472900 1.0 F F21 1 0.38097700 0.53188400 0.39558400 1.0 F F22 1 0.81290000 0.24441500 0.77560900 1.0 F F23 1 0.14273200 0.52639700 0.89488800 1.0 F F24 1 0.43773800 0.25326100 0.26986500 1.0 F F25 1 0.17575500 0.76824200 0.21123400 1.0 F F26 1 0.44774300 0.07548400 0.11562300 1.0 F F27 1 0.64231800 0.67069500 0.21795400 1.0 F F28 1 0.08783300 0.82177200 0.01460400 1.0 F F29 1 0.09390700 0.00658200 0.65837200 1.0 F F30 1 0.90271900 0.17684000 0.00086200 1.0 F F31 1 0.72905200 0.82267900 0.51477900 1.0 F F32 1 0.58435400 0.69364600 0.04814000 1.0 F F33 1 0.59425700 0.76509300 0.71310200 1.0 F F34 1 0.95621200 0.32370200 0.27156900 1.0 F F35 1 0.27728900 0.17375200 0.50929300 1.0 F F36 1 0.36539700 0.92416400 0.38337900 1.0 F F37 1 0.09406400 0.96755100 0.83841300 1.0 F F38 1 0.03093500 0.67400100 0.71999700 1.0 F F39 1 0.86677200 0.49151700 0.10360000 1.0