# generated using pymatgen data_Ca4La3Ni4Sn13 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.25200832 _cell_length_b 11.25200832 _cell_length_c 4.62707643 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca4La3Ni4Sn13 _chemical_formula_sum 'Ca4 La3 Ni4 Sn13' _cell_volume 585.82346356 _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 0.83818106 0.17079201 0.00000000 1.0 Ca Ca1 1 0.82920799 0.83818106 0.00000000 1.0 Ca Ca2 1 0.16181894 0.82920799 0.00000000 1.0 Ca Ca3 1 0.17079201 0.16181894 0.00000000 1.0 La La4 1 0.50000000 0.50000000 0.50000000 1.0 La La5 1 0.00000000 0.50000000 0.00000000 1.0 La La6 1 0.50000000 0.00000000 0.00000000 1.0 Ni Ni7 1 0.77663357 0.61677466 0.50000000 1.0 Ni Ni8 1 0.38322534 0.77663357 0.50000000 1.0 Ni Ni9 1 0.61677466 0.22336643 0.50000000 1.0 Ni Ni10 1 0.22336643 0.38322534 0.50000000 1.0 Sn Sn11 1 0.01927405 0.28367198 0.50000000 1.0 Sn Sn12 1 0.98072595 0.71632802 0.50000000 1.0 Sn Sn13 1 0.21544194 0.61498370 0.50000000 1.0 Sn Sn14 1 0.56986364 0.30121650 0.00000000 1.0 Sn Sn15 1 0.69878350 0.56986364 0.00000000 1.0 Sn Sn16 1 0.78455806 0.38501630 0.50000000 1.0 Sn Sn17 1 0.71632802 0.01927405 0.50000000 1.0 Sn Sn18 1 0.00000000 0.00000000 0.50000000 1.0 Sn Sn19 1 0.28367198 0.98072595 0.50000000 1.0 Sn Sn20 1 0.43013636 0.69878350 0.00000000 1.0 Sn Sn21 1 0.61498370 0.78455806 0.50000000 1.0 Sn Sn22 1 0.30121650 0.43013636 0.00000000 1.0 Sn Sn23 1 0.38501630 0.21544194 0.50000000 1.0