# generated using pymatgen data_Ca2V3Co2AgO12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.94507554 _cell_length_b 10.94507554 _cell_length_c 10.94507554 _cell_angle_alpha 109.39469350 _cell_angle_beta 109.39469350 _cell_angle_gamma 109.62438356 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca2V3Co2AgO12 _chemical_formula_sum 'Ca8 V12 Co8 Ag4 O48' _cell_volume 1009.32741881 _cell_formula_units_Z 4 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 Ca Ca0 1 0.37500000 0.24831600 0.37331600 1.0 Ca Ca1 1 0.75168400 0.12500000 0.12668400 1.0 Ca Ca2 1 0.99831600 0.62500000 0.87331600 1.0 Ca Ca3 1 0.37500000 0.74831600 0.87331600 1.0 Ca Ca4 1 0.87500000 0.00168400 0.62668400 1.0 Ca Ca5 1 0.25168400 0.12500000 0.62668400 1.0 Ca Ca6 1 0.49831600 0.62500000 0.37331600 1.0 Ca Ca7 1 0.87500000 0.50168400 0.12668400 1.0 V V8 1 0.74870100 0.62500000 0.62370100 1.0 V V9 1 0.00000000 0.00000000 0.00000000 1.0 V V10 1 0.75000000 0.25000000 0.50000000 1.0 V V11 1 0.37500000 0.99870100 0.12370100 1.0 V V12 1 0.37500000 0.49870100 0.62370100 1.0 V V13 1 0.00129900 0.12500000 0.37629900 1.0 V V14 1 0.24870100 0.62500000 0.12370100 1.0 V V15 1 0.87500000 0.75129900 0.37629900 1.0 V V16 1 0.87500000 0.25129900 0.87629900 1.0 V V17 1 0.50000000 0.50000000 0.00000000 1.0 V V18 1 0.25000000 0.75000000 0.50000000 1.0 V V19 1 0.50129900 0.12500000 0.87629900 1.0 Co Co20 1 0.12500000 0.87500000 0.25000000 1.0 Co Co21 1 0.62500000 0.87500000 0.75000000 1.0 Co Co22 1 0.62500000 0.87500000 0.25000000 1.0 Co Co23 1 0.12500000 0.37500000 0.75000000 1.0 Co Co24 1 0.12500000 0.37500000 0.25000000 1.0 Co Co25 1 0.62500000 0.37500000 0.75000000 1.0 Co Co26 1 0.62500000 0.37500000 0.25000000 1.0 Co Co27 1 0.12500000 0.87500000 0.75000000 1.0 Ag Ag28 1 0.00000000 0.50000000 0.50000000 1.0 Ag Ag29 1 0.50000000 0.00000000 0.50000000 1.0 Ag Ag30 1 0.75000000 0.75000000 0.00000000 1.0 Ag Ag31 1 0.25000000 0.25000000 0.00000000 1.0 O O32 1 0.33108100 0.46032700 0.43984800 1.0 O O33 1 0.22289700 0.76749900 0.65348800 1.0 O O34 1 0.93263500 0.67328400 0.66470800 1.0 O O35 1 0.60876700 0.47952100 0.43984800 1.0 O O36 1 0.13598900 0.18059100 0.15348800 1.0 O O37 1 0.42328400 0.18263500 0.16470800 1.0 O O38 1 0.73250100 0.27710300 0.34651200 1.0 O O39 1 0.61401100 0.26749900 0.54460200 1.0 O O40 1 0.23207300 0.49142400 0.66470800 1.0 O O41 1 0.93059100 0.38598900 0.65348800 1.0 O O42 1 0.01749900 0.86401100 0.04460200 1.0 O O43 1 0.53967300 0.97952100 0.87075400 1.0 O O44 1 0.00857600 0.26792700 0.33529200 1.0 O O45 1 0.22952100 0.85876700 0.93984800 1.0 O O46 1 0.32671600 0.99142400 0.25935100 1.0 O O47 1 0.74142400 0.57671600 0.75935100 1.0 O O48 1 0.52047900 0.96032700 0.12924600 1.0 O O49 1 0.81940900 0.97289700 0.95539800 1.0 O O50 1 0.72289700 0.06940900 0.45539800 1.0 O O51 1 0.41891900 0.35876700 0.62924600 1.0 O O52 1 0.03967300 0.16891900 0.56015200 1.0 O O53 1 0.81736500 0.98207300 0.24064900 1.0 O O54 1 0.10876700 0.66891900 0.12924600 1.0 O O55 1 0.51792700 0.68263500 0.75935100 1.0 O O56 1 0.73207300 0.06736500 0.74064900 1.0 O O57 1 0.14123300 0.08108100 0.37075400 1.0 O O58 1 0.43263500 0.76792700 0.25935100 1.0 O O59 1 0.21032700 0.58108100 0.93984800 1.0 O O60 1 0.83108100 0.39123300 0.87075400 1.0 O O61 1 0.52710300 0.68059100 0.04460200 1.0 O O62 1 0.43059100 0.77710300 0.54460200 1.0 O O63 1 0.72952100 0.78967300 0.37075400 1.0 O O64 1 0.50857600 0.17328400 0.74064900 1.0 O O65 1 0.92328400 0.75857600 0.24064900 1.0 O O66 1 0.02047900 0.89123300 0.56015200 1.0 O O67 1 0.24142400 0.48207300 0.16470800 1.0 O O68 1 0.71032700 0.77047900 0.62924600 1.0 O O69 1 0.23250100 0.88598900 0.45539800 1.0 O O70 1 0.31940900 0.36401100 0.84651200 1.0 O O71 1 0.01792700 0.25857600 0.83529200 1.0 O O72 1 0.63598900 0.48250100 0.95539800 1.0 O O73 1 0.51749900 0.47289700 0.15348800 1.0 O O74 1 0.82671600 0.56736500 0.33529200 1.0 O O75 1 0.11401100 0.56940900 0.34651200 1.0 O O76 1 0.64123300 0.27047900 0.06015200 1.0 O O77 1 0.31736500 0.07671600 0.83529200 1.0 O O78 1 0.02710300 0.98250100 0.84651200 1.0 O O79 1 0.91891900 0.28967300 0.06015200 1.0