# generated using pymatgen data_Ca5Sn3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.65460382 _cell_length_b 9.65460382 _cell_length_c 9.65460382 _cell_angle_alpha 130.06620093 _cell_angle_beta 130.06620093 _cell_angle_gamma 73.30095389 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca5Sn3 _chemical_formula_sum 'Ca10 Sn6' _cell_volume 514.53553531 _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 0.81775888 0.31775888 0.85397849 1.0 Ca Ca1 1 0.18224112 0.68224112 0.14602151 1.0 Ca Ca2 1 0.46377938 0.96377938 0.14602151 1.0 Ca Ca3 1 0.31775888 0.46377938 0.50000000 1.0 Ca Ca4 1 0.03622062 0.18224112 0.50000000 1.0 Ca Ca5 1 0.53622062 0.03622062 0.85397849 1.0 Ca Ca6 1 0.68224112 0.53622062 0.50000000 1.0 Ca Ca7 1 0.96377938 0.81775888 0.50000000 1.0 Ca Ca8 1 -0.00000000 -0.00000000 -0.00000000 1.0 Ca Ca9 1 0.50000000 0.50000000 -0.00000000 1.0 Sn Sn10 1 0.12443217 0.62443217 0.74886635 1.0 Sn Sn11 1 0.87556783 0.37556783 0.25113365 1.0 Sn Sn12 1 0.62443217 0.87556783 0.50000000 1.0 Sn Sn13 1 0.37556783 0.12443217 0.50000000 1.0 Sn Sn14 1 0.25000000 0.25000000 -0.00000000 1.0 Sn Sn15 1 0.75000000 0.75000000 -0.00000000 1.0