# generated using pymatgen data_Ni2Mo4N _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.97156123 _cell_length_b 7.97156123 _cell_length_c 7.97156123 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ni2Mo4N _chemical_formula_sum 'Ni8 Mo16 N4' _cell_volume 358.19140498 _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 0.99584400 0.33471900 0.33471900 1.0 Ni Ni1 1 0.91528100 0.91528100 0.91528100 1.0 Ni Ni2 1 0.33471900 0.33471900 0.99584400 1.0 Ni Ni3 1 0.91528100 0.91528100 0.25415600 1.0 Ni Ni4 1 0.25415600 0.91528100 0.91528100 1.0 Ni Ni5 1 0.33471900 0.99584400 0.33471900 1.0 Ni Ni6 1 0.91528100 0.25415600 0.91528100 1.0 Ni Ni7 1 0.33471900 0.33471900 0.33471900 1.0 Mo Mo8 1 0.30531300 0.69468700 0.69468700 1.0 Mo Mo9 1 0.12500000 0.12500000 0.62500000 1.0 Mo Mo10 1 0.55531300 0.55531300 0.94468700 1.0 Mo Mo11 1 0.30531300 0.69468700 0.30531300 1.0 Mo Mo12 1 0.30531300 0.30531300 0.69468700 1.0 Mo Mo13 1 0.69468700 0.30531300 0.30531300 1.0 Mo Mo14 1 0.94468700 0.94468700 0.55531300 1.0 Mo Mo15 1 0.94468700 0.55531300 0.94468700 1.0 Mo Mo16 1 0.94468700 0.55531300 0.55531300 1.0 Mo Mo17 1 0.55531300 0.94468700 0.94468700 1.0 Mo Mo18 1 0.12500000 0.12500000 0.12500000 1.0 Mo Mo19 1 0.69468700 0.69468700 0.30531300 1.0 Mo Mo20 1 0.69468700 0.30531300 0.69468700 1.0 Mo Mo21 1 0.55531300 0.94468700 0.55531300 1.0 Mo Mo22 1 0.62500000 0.12500000 0.12500000 1.0 Mo Mo23 1 0.12500000 0.62500000 0.12500000 1.0 N N24 1 0.62500000 0.12500000 0.62500000 1.0 N N25 1 0.62500000 0.62500000 0.12500000 1.0 N N26 1 0.12500000 0.62500000 0.62500000 1.0 N N27 1 0.62500000 0.62500000 0.62500000 1.0