# generated using pymatgen data_CaCoSi2O7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.27100203 _cell_length_b 7.92247465 _cell_length_c 7.97198518 _cell_angle_alpha 89.30445868 _cell_angle_beta 89.99561948 _cell_angle_gamma 90.01052558 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaCoSi2O7 _chemical_formula_sum 'Ca2 Co2 Si4 O14' _cell_volume 332.88062190 _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 0.48311700 0.16552000 0.67395800 1.0 Ca Ca1 1 0.48291100 0.83495400 0.32619300 1.0 Co Co2 1 0.00706100 0.49993500 0.50002200 1.0 Co Co3 1 0.01724400 0.00010500 0.99999700 1.0 Si Si4 1 0.93712600 0.86819600 0.63453800 1.0 Si Si5 1 0.05178200 0.64201700 0.14153300 1.0 Si Si6 1 0.05141300 0.35792000 0.85796800 1.0 Si Si7 1 0.93716200 0.13168200 0.36556700 1.0 O O8 1 0.83590700 0.68164600 0.58330200 1.0 O O9 1 0.83587600 0.31826100 0.41678400 1.0 O O10 1 0.19646900 0.41198000 0.67769700 1.0 O O11 1 0.19600600 0.58816400 0.32214600 1.0 O O12 1 0.83301400 0.92689200 0.81620400 1.0 O O13 1 0.20452500 0.81916400 0.08990600 1.0 O O14 1 0.20431000 0.18085000 0.90989000 1.0 O O15 1 0.83295700 0.07285200 0.18399900 1.0 O O16 1 0.24418200 0.89917700 0.59985600 1.0 O O17 1 0.76042200 0.67661000 0.18879600 1.0 O O18 1 0.09944200 0.50014400 0.99981300 1.0 O O19 1 0.78342400 0.99996100 0.50008000 1.0 O O20 1 0.76027300 0.32313400 0.81160000 1.0 O O21 1 0.24422100 0.10083600 0.40015200 1.0