# generated using pymatgen data_Ba2CaCuAg2F14 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.63013425 _cell_length_b 7.63013425 _cell_length_c 15.37207202 _cell_angle_alpha 88.82407053 _cell_angle_beta 88.82407053 _cell_angle_gamma 42.88934617 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2CaCuAg2F14 _chemical_formula_sum 'Ba4 Ca2 Cu2 Ag4 F28' _cell_volume 608.93834669 _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 0.73293700 0.88427300 0.62497800 1.0 Ba Ba1 1 0.88427300 0.73293700 0.12497800 1.0 Ba Ba2 1 0.26938500 0.11212500 0.37484200 1.0 Ba Ba3 1 0.11212500 0.26938500 0.87484200 1.0 Ca Ca4 1 0.41477800 0.58210400 0.75074600 1.0 Ca Ca5 1 0.58210400 0.41477800 0.25074600 1.0 Cu Cu6 1 0.50012900 0.50423900 0.00030400 1.0 Cu Cu7 1 0.50423900 0.50012900 0.50030400 1.0 Ag Ag8 1 0.84916200 0.90817900 0.87561200 1.0 Ag Ag9 1 0.14732600 0.09084100 0.12466200 1.0 Ag Ag10 1 0.90817900 0.84916200 0.37561200 1.0 Ag Ag11 1 0.09084100 0.14732600 0.62466200 1.0 F F12 1 0.93490900 0.10093800 0.34112500 1.0 F F13 1 0.58874500 0.13159300 0.46074400 1.0 F F14 1 0.41270500 0.86519100 0.53968300 1.0 F F15 1 0.16237900 0.35974500 0.59501500 1.0 F F16 1 0.52197400 0.38679600 0.61306700 1.0 F F17 1 0.61259800 0.48023800 0.88663300 1.0 F F18 1 0.13159300 0.58874500 0.96074400 1.0 F F19 1 0.89668600 0.06583500 0.15907000 1.0 F F20 1 0.04336300 0.62539900 0.77122400 1.0 F F21 1 0.84259400 0.63496600 0.40630600 1.0 F F22 1 0.56161600 0.18960100 0.78131200 1.0 F F23 1 0.63496600 0.84259400 0.90630600 1.0 F F24 1 0.18960100 0.56161600 0.28131200 1.0 F F25 1 0.43224200 0.80973800 0.22003800 1.0 F F26 1 0.38679600 0.52197300 0.11306700 1.0 F F27 1 0.95345900 0.37336900 0.22661900 1.0 F F28 1 0.30311300 0.85857300 0.00802000 1.0 F F29 1 0.06583500 0.89668600 0.65907000 1.0 F F30 1 0.68960700 0.15493000 0.98880500 1.0 F F31 1 0.85857300 0.30311300 0.50802000 1.0 F F32 1 0.86519100 0.41270500 0.03968300 1.0 F F33 1 0.80973800 0.43224200 0.72003800 1.0 F F34 1 0.62539900 0.04336300 0.27122400 1.0 F F35 1 0.15493000 0.68960700 0.48880500 1.0 F F36 1 0.48023800 0.61259800 0.38663300 1.0 F F37 1 0.10093800 0.93490900 0.84112500 1.0 F F38 1 0.37336900 0.95345900 0.72661900 1.0 F F39 1 0.35974500 0.16237900 0.09501500 1.0