# generated using pymatgen data_Ti6GaP2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.76798424 _cell_length_b 6.76798512 _cell_length_c 3.46300822 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999088 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti6GaP2 _chemical_formula_sum 'Ti6 Ga1 P2' _cell_volume 137.37348864 _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 Ti Ti0 1 0.00264691 0.25504130 0.50000000 1.0 Ti Ti1 1 0.25239440 0.99735309 0.50000000 1.0 Ti Ti2 1 0.74495870 0.74760560 0.50000000 1.0 Ti Ti3 1 0.59310911 0.98488487 0.00000000 1.0 Ti Ti4 1 0.39177576 0.40689089 0.00000000 1.0 Ti Ti5 1 0.01511513 0.60822424 0.00000000 1.0 Ga Ga6 1 0.66666700 0.33333300 0.50000000 1.0 P P7 1 0.00000000 0.00000000 0.00000000 1.0 P P8 1 0.33333300 0.66666700 0.50000000 1.0