# generated using pymatgen data_Zr2InN _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.29021206 _cell_length_b 3.29021206 _cell_length_c 14.93118155 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99997256 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr2InN _chemical_formula_sum 'Zr4 In2 N2' _cell_volume 139.98216512 _cell_formula_units_Z 2 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 0.33333300 0.66666700 0.41616372 1.0 Zr Zr1 1 0.66666700 0.33333300 0.58383628 1.0 Zr Zr2 1 0.66666700 0.33333300 0.91616372 1.0 Zr Zr3 1 0.33333300 0.66666700 0.08383628 1.0 In In4 1 0.33333300 0.66666700 0.75000000 1.0 In In5 1 0.66666700 0.33333300 0.25000000 1.0 N N6 1 0.00000000 0.00000000 0.50000000 1.0 N N7 1 -0.00000000 0.00000000 -0.00000000 1.0