# generated using pymatgen data_Cr3N4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.82246600 _cell_length_b 9.35038600 _cell_length_c 9.62831800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cr3N4 _chemical_formula_sum 'Cr12 N16' _cell_volume 254.10235158 _cell_formula_units_Z 4 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 Cr Cr0 1 0.25000000 0.91920300 0.11960800 1.0 Cr Cr1 1 0.25000000 0.41920300 0.38039200 1.0 Cr Cr2 1 0.75000000 0.08079700 0.88039200 1.0 Cr Cr3 1 0.75000000 0.58079700 0.61960800 1.0 Cr Cr4 1 0.25000000 0.90148100 0.59959300 1.0 Cr Cr5 1 0.25000000 0.40148100 0.90040700 1.0 Cr Cr6 1 0.75000000 0.09851900 0.40040700 1.0 Cr Cr7 1 0.75000000 0.59851900 0.09959300 1.0 Cr Cr8 1 0.25000000 0.79703100 0.85956200 1.0 Cr Cr9 1 0.25000000 0.29703100 0.64043800 1.0 Cr Cr10 1 0.75000000 0.20296900 0.14043800 1.0 Cr Cr11 1 0.75000000 0.70296900 0.35956200 1.0 N N12 1 0.25000000 0.73690500 0.20660800 1.0 N N13 1 0.25000000 0.23690500 0.29339200 1.0 N N14 1 0.75000000 0.26309500 0.79339200 1.0 N N15 1 0.75000000 0.76309500 0.70660800 1.0 N N16 1 0.25000000 0.63037300 0.47970900 1.0 N N17 1 0.25000000 0.13037300 0.02029100 1.0 N N18 1 0.75000000 0.36962700 0.52029100 1.0 N N19 1 0.75000000 0.86962700 0.97970900 1.0 N N20 1 0.25000000 0.49319800 0.72688900 1.0 N N21 1 0.25000000 0.99319800 0.77311100 1.0 N N22 1 0.75000000 0.50680200 0.27311100 1.0 N N23 1 0.75000000 0.00680200 0.22688900 1.0 N N24 1 0.25000000 0.10584000 0.53435800 1.0 N N25 1 0.25000000 0.60584000 0.96564200 1.0 N N26 1 0.75000000 0.89416000 0.46564200 1.0 N N27 1 0.75000000 0.39416000 0.03435800 1.0