# generated using pymatgen data_Ba2Li3TiAs4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.99410877 _cell_length_b 6.99410920 _cell_length_c 6.14069846 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 128.05300609 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2Li3TiAs4 _chemical_formula_sum 'Ba2 Li3 Ti1 As4' _cell_volume 236.53777285 _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 0.26284321 1.0 Ba Ba1 1 0.00000000 0.50000000 0.73715679 1.0 Li Li2 1 0.50000000 0.50000000 0.50000000 1.0 Li Li3 1 0.50000000 0.50000000 0.00000000 1.0 Li Li4 1 0.00000000 0.00000000 0.50000000 1.0 Ti Ti5 1 0.00000000 0.00000000 0.00000000 1.0 As As6 1 0.65446726 0.87233708 0.76342868 1.0 As As7 1 0.12766292 0.34553274 0.23657132 1.0 As As8 1 0.87233708 0.65446726 0.23657132 1.0 As As9 1 0.34553274 0.12766292 0.76342868 1.0