# generated using pymatgen data_CaSnO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.79280300 _cell_length_b 8.79280300 _cell_length_c 8.79280300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaSnO6 _chemical_formula_sum 'Ca4 Sn4 O24' _cell_volume 679.80136002 _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 0.25000000 0.75000000 0.75000000 1.0 Ca Ca1 1 0.75000000 0.75000000 0.25000000 1.0 Ca Ca2 1 0.75000000 0.25000000 0.75000000 1.0 Ca Ca3 1 0.25000000 0.25000000 0.25000000 1.0 Sn Sn4 1 0.75000000 0.25000000 0.25000000 1.0 Sn Sn5 1 0.25000000 0.25000000 0.75000000 1.0 Sn Sn6 1 0.25000000 0.75000000 0.25000000 1.0 Sn Sn7 1 0.75000000 0.75000000 0.75000000 1.0 O O8 1 0.74304900 0.25695100 0.48422600 1.0 O O9 1 0.25695100 0.25695100 0.51577400 1.0 O O10 1 0.25695100 0.74304900 0.48422600 1.0 O O11 1 0.74304900 0.74304900 0.51577400 1.0 O O12 1 0.51577400 0.25695100 0.25695100 1.0 O O13 1 0.48422600 0.25695100 0.74304900 1.0 O O14 1 0.48422600 0.74304900 0.25695100 1.0 O O15 1 0.51577400 0.74304900 0.74304900 1.0 O O16 1 0.25695100 0.51577400 0.25695100 1.0 O O17 1 0.74304900 0.48422600 0.25695100 1.0 O O18 1 0.25695100 0.48422600 0.74304900 1.0 O O19 1 0.74304900 0.51577400 0.74304900 1.0 O O20 1 0.75695100 0.24304900 0.01577400 1.0 O O21 1 0.24304900 0.24304900 0.98422600 1.0 O O22 1 0.24304900 0.75695100 0.01577400 1.0 O O23 1 0.75695100 0.75695100 0.98422600 1.0 O O24 1 0.98422600 0.24304900 0.24304900 1.0 O O25 1 0.01577400 0.24304900 0.75695100 1.0 O O26 1 0.01577400 0.75695100 0.24304900 1.0 O O27 1 0.98422600 0.75695100 0.75695100 1.0 O O28 1 0.24304900 0.98422600 0.24304900 1.0 O O29 1 0.75695100 0.01577400 0.24304900 1.0 O O30 1 0.24304900 0.01577400 0.75695100 1.0 O O31 1 0.75695100 0.98422600 0.75695100 1.0