# generated using pymatgen data_Cu2SnSe3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.06346942 _cell_length_b 7.06346942 _cell_length_c 13.45874765 _cell_angle_alpha 85.08372034 _cell_angle_beta 85.08372034 _cell_angle_gamma 119.94000294 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cu2SnSe3 _chemical_formula_sum 'Cu8 Sn4 Se12' _cell_volume 573.28508019 _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 0.08483700 0.91971700 0.74144700 1.0 Cu Cu1 1 0.91971700 0.08483700 0.24144700 1.0 Cu Cu2 1 0.23380700 0.74012000 0.24346000 1.0 Cu Cu3 1 0.74012000 0.23380700 0.74346000 1.0 Cu Cu4 1 0.15475000 0.31350900 0.49151700 1.0 Cu Cu5 1 0.31350900 0.15475000 0.99151700 1.0 Cu Cu6 1 0.83569700 0.65695400 0.49204500 1.0 Cu Cu7 1 0.65695400 0.83569700 0.99204500 1.0 Sn Sn8 1 0.49608800 0.00350000 0.50083200 1.0 Sn Sn9 1 0.00350000 0.49608800 0.00083200 1.0 Sn Sn10 1 0.42632800 0.57665800 0.74958300 1.0 Sn Sn11 1 0.57665800 0.42632800 0.24958300 1.0 Se Se12 1 0.11726700 0.96719800 0.55995700 1.0 Se Se13 1 0.96719800 0.11726700 0.05995700 1.0 Se Se14 1 0.47654200 0.61547300 0.54815900 1.0 Se Se15 1 0.61547300 0.47654200 0.04815900 1.0 Se Se16 1 0.55995800 0.03978200 0.29903400 1.0 Se Se17 1 0.03978200 0.55995800 0.79903400 1.0 Se Se18 1 0.83341200 0.32742700 0.56094700 1.0 Se Se19 1 0.32742700 0.83341200 0.06094700 1.0 Se Se20 1 0.39162700 0.20017900 0.80988000 1.0 Se Se21 1 0.20017900 0.39162700 0.30988000 1.0 Se Se22 1 0.75063000 0.91213900 0.81044000 1.0 Se Se23 1 0.91213900 0.75063000 0.31044000 1.0