# generated using pymatgen data_CuSnO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.40089200 _cell_length_b 8.11037700 _cell_length_c 8.23815200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CuSnO6 _chemical_formula_sum 'Cu4 Sn4 O24' _cell_volume 427.67251697 _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 Cu Cu0 1 0.99953300 0.74925200 0.74782100 1.0 Cu Cu1 1 0.49953300 0.75074800 0.24782100 1.0 Cu Cu2 1 0.49953300 0.24925200 0.75217900 1.0 Cu Cu3 1 0.99953300 0.25074800 0.25217900 1.0 Sn Sn4 1 0.50069100 0.24968300 0.25138400 1.0 Sn Sn5 1 0.00069100 0.25031700 0.75138400 1.0 Sn Sn6 1 0.00069100 0.74968300 0.24861600 1.0 Sn Sn7 1 0.50069100 0.75031700 0.74861600 1.0 O O8 1 0.85728500 0.76755900 0.99471600 1.0 O O9 1 0.35728500 0.73244100 0.49471600 1.0 O O10 1 0.35728500 0.26755900 0.50528400 1.0 O O11 1 0.85728500 0.23244100 0.00528400 1.0 O O12 1 0.14146400 0.73379900 0.50259900 1.0 O O13 1 0.64146400 0.76620100 0.00259900 1.0 O O14 1 0.64146400 0.23379900 0.99740100 1.0 O O15 1 0.14146400 0.26620100 0.49740100 1.0 O O16 1 0.85898800 0.49738200 0.26992700 1.0 O O17 1 0.35898800 0.99738200 0.23007300 1.0 O O18 1 0.35898800 0.00261800 0.76992700 1.0 O O19 1 0.85898800 0.50261800 0.73007300 1.0 O O20 1 0.14058700 0.00658300 0.22764200 1.0 O O21 1 0.64058700 0.50658300 0.27235800 1.0 O O22 1 0.64058700 0.49341700 0.72764200 1.0 O O23 1 0.14058700 0.99341700 0.77235800 1.0 O O24 1 0.23543400 0.66323300 0.83237300 1.0 O O25 1 0.73543400 0.83676700 0.33237300 1.0 O O26 1 0.73543400 0.16323300 0.66762700 1.0 O O27 1 0.23543400 0.33676700 0.16762700 1.0 O O28 1 0.76198200 0.83349700 0.66421300 1.0 O O29 1 0.26198200 0.66650300 0.16421300 1.0 O O30 1 0.26198200 0.33349700 0.83578700 1.0 O O31 1 0.76198200 0.16650300 0.33578700 1.0