# generated using pymatgen data_Ti2(InBr3)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.51836604 _cell_length_b 7.51836604 _cell_length_c 18.44810500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000037 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti2(InBr3)3 _chemical_formula_sum 'Ti4 In6 Br18' _cell_volume 903.08644590 _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 Ti Ti0 1 0.66666700 0.33333300 0.16226700 1.0 Ti Ti1 1 0.33333300 0.66666700 0.83472000 1.0 Ti Ti2 1 0.33333300 0.66666700 0.66226700 1.0 Ti Ti3 1 0.66666700 0.33333300 0.33472000 1.0 In In4 1 0.66666700 0.33333300 0.95195400 1.0 In In5 1 0.33333300 0.66666700 0.05327000 1.0 In In6 1 0.33333300 0.66666700 0.45195400 1.0 In In7 1 0.66666700 0.33333300 0.55327000 1.0 In In8 1 0.00000000 0.00000000 0.77352900 1.0 In In9 1 0.00000000 0.00000000 0.27352900 1.0 Br Br10 1 0.49432100 0.98864200 0.74908900 1.0 Br Br11 1 0.49432100 0.50567900 0.74908900 1.0 Br Br12 1 0.01135800 0.50567900 0.74908900 1.0 Br Br13 1 0.50567900 0.01135800 0.24908900 1.0 Br Br14 1 0.50567900 0.49432100 0.24908900 1.0 Br Br15 1 0.98864200 0.49432100 0.24908900 1.0 Br Br16 1 0.82685800 0.65371500 0.08546000 1.0 Br Br17 1 0.82685800 0.17314200 0.08546000 1.0 Br Br18 1 0.34628500 0.17314200 0.08546000 1.0 Br Br19 1 0.17195100 0.34390100 0.91252000 1.0 Br Br20 1 0.17195100 0.82804900 0.91252000 1.0 Br Br21 1 0.65609900 0.82804900 0.91252000 1.0 Br Br22 1 0.17314200 0.34628500 0.58546000 1.0 Br Br23 1 0.17314200 0.82685800 0.58546000 1.0 Br Br24 1 0.65371500 0.82685800 0.58546000 1.0 Br Br25 1 0.82804900 0.65609900 0.41252000 1.0 Br Br26 1 0.82804900 0.17195100 0.41252000 1.0 Br Br27 1 0.34390100 0.17195100 0.41252000 1.0