# generated using pymatgen data_ZrMn12NbP7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.41200790 _cell_length_b 9.41200880 _cell_length_c 3.52185157 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000070 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrMn12NbP7 _chemical_formula_sum 'Zr1 Mn12 Nb1 P7' _cell_volume 270.18814219 _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 0.66666700 0.33333300 0.50000000 1.0 Mn Mn1 1 0.71073316 0.61766497 0.00000000 1.0 Mn Mn2 1 0.38233503 0.09306820 0.00000000 1.0 Mn Mn3 1 0.90693180 0.28926684 0.00000000 1.0 Mn Mn4 1 0.21768225 0.38597562 0.00000000 1.0 Mn Mn5 1 0.61402438 0.83170863 0.00000000 1.0 Mn Mn6 1 0.16829137 0.78231775 0.00000000 1.0 Mn Mn7 1 0.29281617 0.22388752 0.50000000 1.0 Mn Mn8 1 0.77611248 0.06892765 0.50000000 1.0 Mn Mn9 1 0.93107235 0.70718383 0.50000000 1.0 Mn Mn10 1 0.46507842 0.56374972 0.50000000 1.0 Mn Mn11 1 0.43625028 0.90132969 0.50000000 1.0 Mn Mn12 1 0.09867031 0.53492158 0.50000000 1.0 Nb Nb13 1 0.00000000 0.00000000 0.00000000 1.0 P P14 1 0.46211957 0.37591983 0.00000000 1.0 P P15 1 0.62408017 0.08620074 0.00000000 1.0 P P16 1 0.91379926 0.53788043 0.00000000 1.0 P P17 1 0.05242353 0.24265435 0.50000000 1.0 P P18 1 0.75734565 0.80977018 0.50000000 1.0 P P19 1 0.19022982 0.94757647 0.50000000 1.0 P P20 1 0.33333300 0.66666700 0.00000000 1.0