# generated using pymatgen data_La3SnI3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.27323611 _cell_length_b 11.27323638 _cell_length_c 11.27323640 _cell_angle_alpha 109.47121709 _cell_angle_beta 109.47121756 _cell_angle_gamma 109.47122324 _symmetry_Int_Tables_number 1 _chemical_formula_structural La3SnI3 _chemical_formula_sum 'La12 Sn4 I12' _cell_volume 1102.86908145 _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 La La0 1 0.25929642 0.00929642 0.01859184 1.0 La La1 1 0.01859184 0.25929642 0.00929642 1.0 La La2 1 0.49070358 0.75000000 0.00929642 1.0 La La3 1 0.75000000 0.24070358 0.25929642 1.0 La La4 1 0.00929642 0.01859184 0.25929642 1.0 La La5 1 0.00929642 0.49070358 0.75000000 1.0 La La6 1 0.24070358 0.25929642 0.75000000 1.0 La La7 1 0.25929642 0.75000000 0.24070358 1.0 La La8 1 0.24070358 0.48140816 0.49070358 1.0 La La9 1 0.48140816 0.49070358 0.24070358 1.0 La La10 1 0.75000000 0.00929642 0.49070358 1.0 La La11 1 0.49070358 0.24070358 0.48140816 1.0 Sn Sn12 1 0.00000000 0.25000000 0.50000000 1.0 Sn Sn13 1 0.25000000 0.50000000 0.00000000 1.0 Sn Sn14 1 0.50000000 0.00000000 0.25000000 1.0 Sn Sn15 1 0.25000000 0.25000000 0.25000000 1.0 I I16 1 0.75562173 0.74437827 0.25000000 1.0 I I17 1 0.50562173 0.25000000 0.99437827 1.0 I I18 1 0.25000000 0.99437827 0.50562173 1.0 I I19 1 0.51124446 0.50562173 0.75562173 1.0 I I20 1 0.99437827 0.98875554 0.74437827 1.0 I I21 1 0.74437827 0.99437827 0.98875554 1.0 I I22 1 0.50562173 0.75562173 0.51124446 1.0 I I23 1 0.75562173 0.51124446 0.50562173 1.0 I I24 1 0.99437827 0.50562173 0.25000000 1.0 I I25 1 0.98875554 0.74437827 0.99437827 1.0 I I26 1 0.25000000 0.75562173 0.74437827 1.0 I I27 1 0.74437827 0.25000000 0.75562173 1.0