# generated using pymatgen data_CaCr2(SiO4)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.32649381 _cell_length_b 10.32649381 _cell_length_c 10.32649381 _cell_angle_alpha 110.34495073 _cell_angle_beta 110.34495073 _cell_angle_gamma 107.73754691 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaCr2(SiO4)3 _chemical_formula_sum 'Ca4 Cr8 Si12 O48' _cell_volume 847.10952926 _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 0.50000000 0.00000000 0.50000000 1.0 Ca Ca1 1 0.75000000 0.75000000 0.00000000 1.0 Ca Ca2 1 0.00000000 0.50000000 0.50000000 1.0 Ca Ca3 1 0.25000000 0.25000000 0.00000000 1.0 Cr Cr4 1 0.37500000 0.62500000 0.75000000 1.0 Cr Cr5 1 0.37500000 0.62500000 0.25000000 1.0 Cr Cr6 1 0.87500000 0.62500000 0.75000000 1.0 Cr Cr7 1 0.87500000 0.62500000 0.25000000 1.0 Cr Cr8 1 0.87500000 0.12500000 0.75000000 1.0 Cr Cr9 1 0.37500000 0.12500000 0.25000000 1.0 Cr Cr10 1 0.87500000 0.12500000 0.25000000 1.0 Cr Cr11 1 0.37500000 0.12500000 0.75000000 1.0 Si Si12 1 0.24918300 0.87500000 0.87418300 1.0 Si Si13 1 0.50081700 0.37500000 0.62581700 1.0 Si Si14 1 0.00000000 0.00000000 0.00000000 1.0 Si Si15 1 0.62500000 0.25081700 0.12581700 1.0 Si Si16 1 0.25000000 0.75000000 0.50000000 1.0 Si Si17 1 0.12500000 0.49918300 0.87418300 1.0 Si Si18 1 0.00081700 0.37500000 0.12581700 1.0 Si Si19 1 0.12500000 0.99918300 0.37418300 1.0 Si Si20 1 0.62500000 0.75081700 0.62581700 1.0 Si Si21 1 0.50000000 0.50000000 0.00000000 1.0 Si Si22 1 0.75000000 0.25000000 0.50000000 1.0 Si Si23 1 0.74918300 0.87500000 0.37418300 1.0 O O24 1 0.76548300 0.92707200 0.24404900 1.0 O O25 1 0.26858700 0.62567300 0.06219700 1.0 O O26 1 0.29168500 0.73835700 0.35764000 1.0 O O27 1 0.56697700 0.82292800 0.33841100 1.0 O O28 1 0.37567300 0.81347600 0.85708600 1.0 O O29 1 0.56347600 0.20639000 0.93780300 1.0 O O30 1 0.87432700 0.23141300 0.93780300 1.0 O O31 1 0.95831500 0.81595500 0.94667100 1.0 O O32 1 0.95639000 0.51858700 0.14291400 1.0 O O33 1 0.67707200 0.93302300 0.66158900 1.0 O O34 1 0.68404500 0.54168500 0.05332900 1.0 O O35 1 0.48835700 0.63071600 0.94667100 1.0 O O36 1 0.97856600 0.81697700 0.24404900 1.0 O O37 1 0.76164300 0.20831500 0.64236000 1.0 O O38 1 0.57292800 0.73451700 0.75595100 1.0 O O39 1 0.56595500 0.11928400 0.35764000 1.0 O O40 1 0.27143400 0.01548300 0.33841100 1.0 O O41 1 0.68302300 0.52143400 0.75595100 1.0 O O42 1 0.48451700 0.22856600 0.66158900 1.0 O O43 1 0.79361000 0.73141300 0.35708600 1.0 O O44 1 0.68652400 0.12432700 0.14291400 1.0 O O45 1 0.86928400 0.01164300 0.05332900 1.0 O O46 1 0.38071600 0.93404500 0.64236000 1.0 O O47 1 0.29361000 0.93652400 0.06219700 1.0 O O48 1 0.98451700 0.32292800 0.25595100 1.0 O O49 1 0.48141300 0.62432700 0.43780300 1.0 O O50 1 0.45831500 0.51164300 0.14236000 1.0 O O51 1 0.18302300 0.42707200 0.16158900 1.0 O O52 1 0.37432700 0.43652400 0.64291400 1.0 O O53 1 0.18652400 0.04361000 0.56219700 1.0 O O54 1 0.87567300 0.01858700 0.56219700 1.0 O O55 1 0.79168500 0.43404500 0.55332900 1.0 O O56 1 0.45639000 0.31347600 0.43780300 1.0 O O57 1 0.36928400 0.31595500 0.85764000 1.0 O O58 1 0.88071600 0.23835700 0.44667100 1.0 O O59 1 0.06347600 0.12567300 0.35708600 1.0 O O60 1 0.76858700 0.70639000 0.64291400 1.0 O O61 1 0.26548300 0.02143400 0.83841100 1.0 O O62 1 0.06697700 0.72856600 0.74404900 1.0 O O63 1 0.47856600 0.23451700 0.16158900 1.0 O O64 1 0.18404500 0.13071600 0.14236000 1.0 O O65 1 0.17707200 0.51548300 0.74404900 1.0 O O66 1 0.98835700 0.04168500 0.85764000 1.0 O O67 1 0.77143400 0.43302300 0.25595100 1.0 O O68 1 0.26164300 0.61928400 0.55332900 1.0 O O69 1 0.06595500 0.70831500 0.44667100 1.0 O O70 1 0.07292800 0.31697700 0.83841100 1.0 O O71 1 0.98141300 0.54361000 0.85708600 1.0