# generated using pymatgen data_Sr2CaSn5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.82100223 _cell_length_b 6.82100223 _cell_length_c 10.75811912 _cell_angle_alpha 90.00012682 _cell_angle_beta 90.00012682 _cell_angle_gamma 102.22283741 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr2CaSn5 _chemical_formula_sum 'Sr4 Ca2 Sn10' _cell_volume 489.18672849 _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 Sr Sr0 1 0.29725921 0.70274079 0.99999800 1.0 Sr Sr1 1 0.29725753 0.70274247 0.50000200 1.0 Sr Sr2 1 0.70274079 0.29725921 0.99999800 1.0 Sr Sr3 1 0.70274247 0.29725753 0.50000200 1.0 Ca Ca4 1 0.84998184 0.84998184 0.25000300 1.0 Ca Ca5 1 0.15001816 0.15001816 0.74999700 1.0 Sn Sn6 1 0.18344718 0.18344718 0.04992572 1.0 Sn Sn7 1 0.81655282 0.81655282 0.95007228 1.0 Sn Sn8 1 0.18345505 0.18345505 0.45008310 1.0 Sn Sn9 1 0.81654495 0.81654495 0.54991890 1.0 Sn Sn10 1 0.41117907 0.01296712 0.25000551 1.0 Sn Sn11 1 0.98703188 0.58882093 0.74999449 1.0 Sn Sn12 1 0.58882093 0.98703188 0.74999449 1.0 Sn Sn13 1 0.01296712 0.41117907 0.25000551 1.0 Sn Sn14 1 0.45986611 0.45986611 0.25000418 1.0 Sn Sn15 1 0.54013389 0.54013389 0.74999582 1.0