# generated using pymatgen data_Ca11Cr7O28 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 14.27816453 _cell_length_b 14.27816453 _cell_length_c 14.27816494 _cell_angle_alpha 44.68348309 _cell_angle_beta 44.68348309 _cell_angle_gamma 44.68348222 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca11Cr7O28 _chemical_formula_sum 'Ca22 Cr14 O56' _cell_volume 1309.17931386 _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 Ca Ca0 1 0.92022600 0.92022600 0.92022600 1.0 Ca Ca1 1 0.72656400 0.72656400 0.72656400 1.0 Ca Ca2 1 0.78712900 0.38068700 0.80505900 1.0 Ca Ca3 1 0.38068700 0.80505900 0.78712900 1.0 Ca Ca4 1 0.80505900 0.78712900 0.38068700 1.0 Ca Ca5 1 0.66548300 0.29454800 0.69437100 1.0 Ca Ca6 1 0.28712900 0.30505900 0.88068700 1.0 Ca Ca7 1 0.29454800 0.69437100 0.66548300 1.0 Ca Ca8 1 0.69437100 0.66548300 0.29454800 1.0 Ca Ca9 1 0.07998500 0.63071000 0.66087300 1.0 Ca Ca10 1 0.88068700 0.28712900 0.30505900 1.0 Ca Ca11 1 0.66087300 0.07998500 0.63071000 1.0 Ca Ca12 1 0.30505900 0.88068700 0.28712900 1.0 Ca Ca13 1 0.16548300 0.19437100 0.79454800 1.0 Ca Ca14 1 0.63071000 0.66087300 0.07998500 1.0 Ca Ca15 1 0.42022600 0.42022600 0.42022600 1.0 Ca Ca16 1 0.79454800 0.16548300 0.19437100 1.0 Ca Ca17 1 0.19437100 0.79454800 0.16548300 1.0 Ca Ca18 1 0.16087300 0.13071000 0.57998500 1.0 Ca Ca19 1 0.13071000 0.57998500 0.16087300 1.0 Ca Ca20 1 0.57998500 0.16087300 0.13071000 1.0 Ca Ca21 1 0.22656400 0.22656400 0.22656400 1.0 Cr Cr22 1 0.99369900 0.99369900 0.99369900 1.0 Cr Cr23 1 0.99309100 0.55432600 0.02839000 1.0 Cr Cr24 1 0.55432600 0.02839000 0.99309100 1.0 Cr Cr25 1 0.02839000 0.99309100 0.55432600 1.0 Cr Cr26 1 0.91030100 0.40847100 0.95516900 1.0 Cr Cr27 1 0.40847100 0.95516900 0.91030100 1.0 Cr Cr28 1 0.95516900 0.91030100 0.40847100 1.0 Cr Cr29 1 0.49369900 0.49369900 0.49369900 1.0 Cr Cr30 1 0.05432600 0.49309100 0.52839000 1.0 Cr Cr31 1 0.52839000 0.05432600 0.49309100 1.0 Cr Cr32 1 0.49309100 0.52839000 0.05432600 1.0 Cr Cr33 1 0.90847100 0.41030100 0.45516900 1.0 Cr Cr34 1 0.45516900 0.90847100 0.41030100 1.0 Cr Cr35 1 0.41030100 0.45516900 0.90847100 1.0 O O36 1 0.03976100 0.03976100 0.03976100 1.0 O O37 1 0.97138400 0.82505000 0.12517000 1.0 O O38 1 0.82505000 0.12517000 0.97138400 1.0 O O39 1 0.12517000 0.97138400 0.82505000 1.0 O O40 1 0.97966100 0.66325600 0.05862200 1.0 O O41 1 0.66325600 0.05862200 0.97966100 1.0 O O42 1 0.05862200 0.97966100 0.66325600 1.0 O O43 1 0.59529600 0.84623100 0.08850200 1.0 O O44 1 0.36567800 0.10600600 0.08723500 1.0 O O45 1 0.08723500 0.36567800 0.10600600 1.0 O O46 1 0.81580100 0.57066600 0.12784700 1.0 O O47 1 0.57066600 0.12784700 0.81580100 1.0 O O48 1 0.08850200 0.59529600 0.84623100 1.0 O O49 1 0.12784700 0.81580100 0.57066600 1.0 O O50 1 0.84623100 0.08850200 0.59529600 1.0 O O51 1 0.33882500 0.89112100 0.09472200 1.0 O O52 1 0.80092500 0.36859500 0.13827200 1.0 O O53 1 0.09472200 0.33882500 0.89112100 1.0 O O54 1 0.10600600 0.08723500 0.36567800 1.0 O O55 1 0.84773300 0.59640200 0.86441000 1.0 O O56 1 0.59640200 0.86441000 0.84773300 1.0 O O57 1 0.36859500 0.13827200 0.80092500 1.0 O O58 1 0.89281400 0.33615000 0.91278000 1.0 O O59 1 0.33615000 0.91278000 0.89281400 1.0 O O60 1 0.86441000 0.84773300 0.59640200 1.0 O O61 1 0.89112100 0.09472200 0.33882500 1.0 O O62 1 0.13827200 0.80092500 0.36859500 1.0 O O63 1 0.91278000 0.89281400 0.33615000 1.0 O O64 1 0.53976100 0.53976100 0.53976100 1.0 O O65 1 0.32505000 0.47138400 0.62517000 1.0 O O66 1 0.62517000 0.32505000 0.47138400 1.0 O O67 1 0.47138400 0.62517000 0.32505000 1.0 O O68 1 0.16325600 0.47966100 0.55862200 1.0 O O69 1 0.55862200 0.16325600 0.47966100 1.0 O O70 1 0.47966100 0.55862200 0.16325600 1.0 O O71 1 0.34623100 0.09529600 0.58850200 1.0 O O72 1 0.07066600 0.31580100 0.62784700 1.0 O O73 1 0.60600600 0.86567800 0.58723500 1.0 O O74 1 0.86567800 0.58723500 0.60600600 1.0 O O75 1 0.09529600 0.58850200 0.34623100 1.0 O O76 1 0.62784700 0.07066600 0.31580100 1.0 O O77 1 0.58850200 0.34623100 0.09529600 1.0 O O78 1 0.31580100 0.62784700 0.07066600 1.0 O O79 1 0.39112100 0.83882500 0.59472200 1.0 O O80 1 0.86859500 0.30092500 0.63827200 1.0 O O81 1 0.83882500 0.59472200 0.39112100 1.0 O O82 1 0.58723500 0.60600600 0.86567800 1.0 O O83 1 0.09640200 0.34773300 0.36441000 1.0 O O84 1 0.36441000 0.09640200 0.34773300 1.0 O O85 1 0.63827200 0.86859500 0.30092500 1.0 O O86 1 0.83615000 0.39281400 0.41278000 1.0 O O87 1 0.41278000 0.83615000 0.39281400 1.0 O O88 1 0.34773300 0.36441000 0.09640200 1.0 O O89 1 0.59472200 0.39112100 0.83882500 1.0 O O90 1 0.30092500 0.63827200 0.86859500 1.0 O O91 1 0.39281400 0.41278000 0.83615000 1.0