# generated using pymatgen data_Zr3Ti3Ge2As _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.02880535 _cell_length_b 7.02880509 _cell_length_c 3.78340394 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00001049 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr3Ti3Ge2As _chemical_formula_sum 'Zr3 Ti3 Ge2 As1' _cell_volume 161.87370776 _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 0.40752792 0.40773436 0.50000000 1.0 Zr Zr1 1 0.59226564 0.99979356 0.50000000 1.0 Zr Zr2 1 0.00020644 0.59247208 0.50000000 1.0 Ti Ti3 1 0.00065532 0.24669885 0.00000000 1.0 Ti Ti4 1 0.24604353 0.99934468 0.00000000 1.0 Ti Ti5 1 0.75330115 0.75395647 0.00000000 1.0 Ge Ge6 1 0.00000000 0.00000000 0.50000000 1.0 Ge Ge7 1 0.33333300 0.66666700 0.00000000 1.0 As As8 1 0.66666700 0.33333300 0.00000000 1.0