# generated using pymatgen data_La3InNiS7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.17430870 _cell_length_b 10.17430870 _cell_length_c 6.32981500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000454 _symmetry_Int_Tables_number 1 _chemical_formula_structural La3InNiS7 _chemical_formula_sum 'La6 In2 Ni2 S14' _cell_volume 567.45502973 _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 La La0 1 0.62909800 0.85294900 0.30762000 1.0 La La1 1 0.14705100 0.77614800 0.30762000 1.0 La La2 1 0.22385200 0.37090200 0.30762000 1.0 La La3 1 0.37090200 0.14705100 0.80762000 1.0 La La4 1 0.85294900 0.22385200 0.80762000 1.0 La La5 1 0.77614800 0.62909800 0.80762000 1.0 In In6 1 0.66666700 0.33333300 0.37923200 1.0 In In7 1 0.33333300 0.66666700 0.87923200 1.0 Ni Ni8 1 0.00000000 0.00000000 0.49553800 1.0 Ni Ni9 1 0.00000000 0.00000000 0.99553800 1.0 S S10 1 0.91149800 0.12873000 0.22825500 1.0 S S11 1 0.87127000 0.78276800 0.22825500 1.0 S S12 1 0.21723200 0.08850200 0.22825500 1.0 S S13 1 0.08850200 0.87127000 0.72825500 1.0 S S14 1 0.12873000 0.21723200 0.72825500 1.0 S S15 1 0.78276800 0.91149800 0.72825500 1.0 S S16 1 0.48871400 0.56994800 0.04711000 1.0 S S17 1 0.43005200 0.91876600 0.04711000 1.0 S S18 1 0.08123400 0.51128600 0.04711000 1.0 S S19 1 0.51128600 0.43005200 0.54711000 1.0 S S20 1 0.56994800 0.08123400 0.54711000 1.0 S S21 1 0.91876600 0.48871400 0.54711000 1.0 S S22 1 0.66666700 0.33333300 0.99615400 1.0 S S23 1 0.33333300 0.66666700 0.49615400 1.0