# generated using pymatgen data_Ti6V4Ga5As _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.45258591 _cell_length_b 7.48368827 _cell_length_c 5.03479848 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.13815253 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti6V4Ga5As _chemical_formula_sum 'Ti6 V4 Ga5 As1' _cell_volume 242.84498015 _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 0.75531263 0.75812110 0.75000000 1.0 Ti Ti1 1 0.24468737 0.00280847 0.75000000 1.0 Ti Ti2 1 0.00000000 0.25175611 0.75000000 1.0 Ti Ti3 1 0.24555193 0.24340571 0.25000000 1.0 Ti Ti4 1 0.75444807 0.99785478 0.25000000 1.0 Ti Ti5 1 1.00000000 0.75209839 0.25000000 1.0 V V6 1 0.67033894 0.33372456 0.99972369 1.0 V V7 1 0.32966106 0.66338762 0.99972369 1.0 V V8 1 0.32966106 0.66338762 0.50027631 1.0 V V9 1 0.67033894 0.33372456 0.50027631 1.0 Ga Ga10 1 0.40204320 0.40011059 0.75000000 1.0 Ga Ga11 1 0.59795680 0.99806838 0.75000000 1.0 Ga Ga12 1 1.00000000 0.60882103 0.75000000 1.0 Ga Ga13 1 0.60011536 0.59979587 0.25000000 1.0 Ga Ga14 1 0.39988464 0.99967950 0.25000000 1.0 As As15 1 0.00000000 0.39325570 0.25000000 1.0