# generated using pymatgen data_TiGa2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.90323791 _cell_length_b 3.90318052 _cell_length_c 12.44096237 _cell_angle_alpha 99.04795389 _cell_angle_beta 99.04696010 _cell_angle_gamma 90.00066908 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiGa2 _chemical_formula_sum 'Ti4 Ga8' _cell_volume 184.79212474 _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 Ti Ti0 1 0.20100791 0.45106324 0.90215668 1.0 Ti Ti1 1 0.04888799 0.29894492 0.59776024 1.0 Ti Ti2 1 0.95107628 0.70102422 0.40217450 1.0 Ti Ti3 1 0.79902707 0.54897582 0.09792131 1.0 Ga Ga4 1 0.46351930 0.21351458 0.42706752 1.0 Ga Ga5 1 0.53648404 0.78648964 0.57293424 1.0 Ga Ga6 1 0.28652724 0.03652403 0.07301061 1.0 Ga Ga7 1 0.71347271 0.96347682 0.92698568 1.0 Ga Ga8 1 0.12564389 0.87548412 0.75093936 1.0 Ga Ga9 1 0.37557829 0.62574030 0.25110442 1.0 Ga Ga10 1 0.87435663 0.12451274 0.24905468 1.0 Ga Ga11 1 0.62441965 0.37424957 0.74889176 1.0