# generated using pymatgen data_Ca6YbNi4Sn13 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.18066830 _cell_length_b 11.18066830 _cell_length_c 4.59523813 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca6YbNi4Sn13 _chemical_formula_sum 'Ca6 Yb1 Ni4 Sn13' _cell_volume 574.43851162 _cell_formula_units_Z 1 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 0.33830140 0.67136053 0.50000000 1.0 Ca Ca1 1 0.66169860 0.32863947 0.50000000 1.0 Ca Ca2 1 0.32863947 0.33830140 0.50000000 1.0 Ca Ca3 1 0.67136053 0.66169860 0.50000000 1.0 Ca Ca4 1 0.50000000 0.00000000 0.50000000 1.0 Ca Ca5 1 0.00000000 0.50000000 0.50000000 1.0 Yb Yb6 1 0.00000000 0.00000000 0.00000000 1.0 Ni Ni7 1 0.11931772 0.72712912 0.00000000 1.0 Ni Ni8 1 0.88068228 0.27287088 0.00000000 1.0 Ni Ni9 1 0.27287088 0.11931772 0.00000000 1.0 Ni Ni10 1 0.72712912 0.88068228 0.00000000 1.0 Sn Sn11 1 0.28348457 0.89019529 0.00000000 1.0 Sn Sn12 1 0.71651543 0.10980471 0.00000000 1.0 Sn Sn13 1 0.10980471 0.28348457 0.00000000 1.0 Sn Sn14 1 0.89019529 0.71651543 0.00000000 1.0 Sn Sn15 1 0.07614340 0.81164808 0.50000000 1.0 Sn Sn16 1 0.92385660 0.18835192 0.50000000 1.0 Sn Sn17 1 0.18835192 0.07614340 0.50000000 1.0 Sn Sn18 1 0.81164808 0.92385660 0.50000000 1.0 Sn Sn19 1 0.51959039 0.78622565 0.00000000 1.0 Sn Sn20 1 0.48040961 0.21377435 0.00000000 1.0 Sn Sn21 1 0.21377435 0.51959039 0.00000000 1.0 Sn Sn22 1 0.78622565 0.48040961 0.00000000 1.0 Sn Sn23 1 0.50000000 0.50000000 0.00000000 1.0