# generated using pymatgen data_Zr6GaAsN2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.91752103 _cell_length_b 5.91751995 _cell_length_c 8.66463353 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 146.07546561 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr6GaAsN2 _chemical_formula_sum 'Zr6 Ga1 As1 N2' _cell_volume 169.33320597 _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 0.62989674 0.37010326 0.94506636 1.0 Zr Zr1 1 0.37259677 0.62740323 0.45034752 1.0 Zr Zr2 1 0.37259677 0.62740323 0.04965248 1.0 Zr Zr3 1 0.62989674 0.37010326 0.55493364 1.0 Zr Zr4 1 0.93973031 0.06026969 0.75000000 1.0 Zr Zr5 1 0.05380534 0.94619466 0.25000000 1.0 Ga Ga6 1 0.74645263 0.25354737 0.25000000 1.0 As As7 1 0.25366942 0.74633058 0.75000000 1.0 N N8 1 0.00067865 0.99932135 0.99768189 1.0 N N9 1 0.00067865 0.99932135 0.50231811 1.0