# generated using pymatgen data_Mn5Nb7N2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.18318782 _cell_length_b 8.20280919 _cell_length_c 8.14717685 _cell_angle_alpha 90.00000000 _cell_angle_beta 60.14546433 _cell_angle_gamma 120.07934921 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn5Nb7N2 _chemical_formula_sum 'Mn10 Nb14 N4' _cell_volume 387.08739408 _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 Mn Mn0 1 0.10274300 0.88453700 0.19862900 1.0 Mn Mn1 1 0.10274300 0.21820600 0.19862900 1.0 Mn Mn2 1 0.41613500 0.20806800 0.89222500 1.0 Mn Mn3 1 0.41613500 0.20806800 0.19164000 1.0 Mn Mn4 1 0.89725700 0.11546300 0.80137100 1.0 Mn Mn5 1 0.89725700 0.78179400 0.80137100 1.0 Mn Mn6 1 0.58386500 0.79193200 0.10777500 1.0 Mn Mn7 1 0.58386500 0.79193200 0.80836000 1.0 Mn Mn8 1 0.50000000 0.50000000 0.00000000 1.0 Mn Mn9 1 0.50000000 0.00000000 0.00000000 1.0 Nb Nb10 1 0.62356700 0.81178400 0.43821600 1.0 Nb Nb11 1 0.85629300 0.42814700 0.82185300 1.0 Nb Nb12 1 0.25385400 0.81702900 0.81732300 1.0 Nb Nb13 1 0.25385400 0.43682600 0.42882300 1.0 Nb Nb14 1 0.25385400 0.43682600 0.81732300 1.0 Nb Nb15 1 0.25385400 0.81702900 0.42882300 1.0 Nb Nb16 1 0.37643300 0.18821600 0.56178400 1.0 Nb Nb17 1 0.14370700 0.57185300 0.17814700 1.0 Nb Nb18 1 0.74614600 0.18297100 0.18267700 1.0 Nb Nb19 1 0.74614600 0.56317400 0.57117700 1.0 Nb Nb20 1 0.74614600 0.56317400 0.18267700 1.0 Nb Nb21 1 0.74614600 0.18297100 0.57117700 1.0 Nb Nb22 1 0.00000000 0.00000000 0.50000000 1.0 Nb Nb23 1 0.00000000 0.00000000 0.00000000 1.0 N N24 1 0.50000000 0.00000000 0.50000000 1.0 N N25 1 0.50000000 0.50000000 0.50000000 1.0 N N26 1 0.00000000 0.50000000 0.00000000 1.0 N N27 1 0.00000000 0.50000000 0.50000000 1.0