# generated using pymatgen data_Ni2Mo3N _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.61380398 _cell_length_b 6.61380398 _cell_length_c 6.61380398 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ni2Mo3N _chemical_formula_sum 'Ni8 Mo12 N4' _cell_volume 289.30367962 _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 Ni Ni0 1 0.93326453 0.56673547 0.43326453 1.0 Ni Ni1 1 0.18326453 0.81673547 0.31673547 1.0 Ni Ni2 1 0.43326453 0.93326453 0.56673547 1.0 Ni Ni3 1 0.68326453 0.68326453 0.68326453 1.0 Ni Ni4 1 0.81673547 0.31673547 0.18326453 1.0 Ni Ni5 1 0.31673547 0.18326453 0.81673547 1.0 Ni Ni6 1 0.56673547 0.43326453 0.93326453 1.0 Ni Ni7 1 0.06673547 0.06673547 0.06673547 1.0 Mo Mo8 1 0.20021539 0.45021539 0.12500000 1.0 Mo Mo9 1 0.04978461 0.87500000 0.70021539 1.0 Mo Mo10 1 0.45021539 0.12500000 0.20021539 1.0 Mo Mo11 1 0.29978461 0.54978461 0.62500000 1.0 Mo Mo12 1 0.95021539 0.37500000 0.79978461 1.0 Mo Mo13 1 0.54978461 0.62500000 0.29978461 1.0 Mo Mo14 1 0.70021539 0.04978461 0.87500000 1.0 Mo Mo15 1 0.62500000 0.29978461 0.54978461 1.0 Mo Mo16 1 0.87500000 0.70021539 0.04978461 1.0 Mo Mo17 1 0.37500000 0.79978461 0.95021539 1.0 Mo Mo18 1 0.12500000 0.20021539 0.45021539 1.0 Mo Mo19 1 0.79978461 0.95021539 0.37500000 1.0 N N20 1 0.87500000 0.12500000 0.62500000 1.0 N N21 1 0.62500000 0.87500000 0.12500000 1.0 N N22 1 0.12500000 0.62500000 0.87500000 1.0 N N23 1 0.37500000 0.37500000 0.37500000 1.0