# generated using pymatgen data_Ba9In4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.01101046 _cell_length_b 10.46226549 _cell_length_c 10.46226549 _cell_angle_alpha 85.26630111 _cell_angle_beta 73.30535012 _cell_angle_gamma 73.30535012 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba9In4 _chemical_formula_sum 'Ba9 In4' _cell_volume 603.66132159 _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 Ba Ba0 1 0.50000000 0.00000000 -0.00000000 1.0 Ba Ba1 1 0.81264983 0.29768400 0.07701434 1.0 Ba Ba2 1 0.18735017 0.70231600 0.92298566 1.0 Ba Ba3 1 0.11033583 0.07701434 0.70231600 1.0 Ba Ba4 1 0.88966417 0.92298566 0.29768400 1.0 Ba Ba5 1 0.87251079 0.51258177 0.74239666 1.0 Ba Ba6 1 0.12748921 0.48741823 0.25760334 1.0 Ba Ba7 1 0.38509256 0.74239666 0.48741823 1.0 Ba Ba8 1 0.61490744 0.25760334 0.51258177 1.0 In In9 1 0.59856768 0.66320910 0.13965454 1.0 In In10 1 0.40143232 0.33679090 0.86034546 1.0 In In11 1 0.26177678 0.13965454 0.33679090 1.0 In In12 1 0.73822322 0.86034546 0.66320910 1.0