# generated using pymatgen data_Zr2H2N _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.28388505 _cell_length_b 3.28388553 _cell_length_c 5.48485242 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000504 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr2H2N _chemical_formula_sum 'Zr2 H2 N1' _cell_volume 51.22376697 _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 0.33333300 0.66666600 0.23432200 1.0 Zr Zr1 1 0.66666500 0.33333300 0.76567800 1.0 H H2 1 0.66666500 0.33333300 0.38663113 1.0 H H3 1 0.33333300 0.66666600 0.61336987 1.0 N N4 1 0.00000000 0.00000000 0.00000000 1.0