# generated using pymatgen data_Zr6Ti4Ga5As _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.92063375 _cell_length_b 7.90358663 _cell_length_c 5.46452346 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.07137483 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr6Ti4Ga5As _chemical_formula_sum 'Zr6 Ti4 Ga5 As1' _cell_volume 296.04264345 _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 Zr Zr0 1 0.24874694 0.00000000 0.25000000 1.0 Zr Zr1 1 0.24307353 0.24589352 0.75000000 1.0 Zr Zr2 1 0.99717901 0.75410648 0.75000000 1.0 Zr Zr3 1 0.00227671 0.24674657 0.25000000 1.0 Zr Zr4 1 0.75553015 0.75325343 0.25000000 1.0 Zr Zr5 1 0.74804824 0.00000000 0.75000000 1.0 Ti Ti6 1 0.66725602 0.33228224 0.00026611 1.0 Ti Ti7 1 0.33497378 0.66771776 0.49973389 1.0 Ti Ti8 1 0.66725602 0.33228224 0.49973389 1.0 Ti Ti9 1 0.33497378 0.66771776 0.00026611 1.0 Ga Ga10 1 0.39279872 0.00000000 0.75000000 1.0 Ga Ga11 1 0.00102769 0.60130643 0.25000000 1.0 Ga Ga12 1 0.00052389 0.40050953 0.75000000 1.0 Ga Ga13 1 0.60001537 0.59949047 0.75000000 1.0 Ga Ga14 1 0.39972126 0.39869357 0.25000000 1.0 As As15 1 0.60659787 0.00000000 0.25000000 1.0