# generated using pymatgen data_Mn3W3C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.97367360 _cell_length_b 7.97371298 _cell_length_c 7.97367120 _cell_angle_alpha 59.99977034 _cell_angle_beta 59.99961260 _cell_angle_gamma 59.99983370 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn3W3C _chemical_formula_sum 'Mn12 W12 C4' _cell_volume 358.47577070 _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 Mn Mn0 1 0.12498923 0.12498942 0.12498872 1.0 Mn Mn1 1 0.33288403 0.33287665 0.00136761 1.0 Mn Mn2 1 0.00136353 0.33288667 0.33287384 1.0 Mn Mn3 1 0.91712432 0.24858798 0.91714375 1.0 Mn Mn4 1 0.24858938 0.91712762 0.91714257 1.0 Mn Mn5 1 0.91712937 0.91713588 0.91715079 1.0 Mn Mn6 1 0.91712862 0.91713814 0.24858488 1.0 Mn Mn7 1 0.33288576 0.00136692 0.33287245 1.0 Mn Mn8 1 0.62503451 0.12498868 0.12498826 1.0 Mn Mn9 1 0.12498933 0.12498995 0.62503109 1.0 Mn Mn10 1 0.12498931 0.62503234 0.12498909 1.0 Mn Mn11 1 0.33288355 0.33287747 0.33287003 1.0 W W12 1 0.68963922 0.31035107 0.68965541 1.0 W W13 1 0.31036448 0.68963434 0.31036592 1.0 W W14 1 0.56039322 0.93960715 0.56039455 1.0 W W15 1 0.56039357 0.93960610 0.93960559 1.0 W W16 1 0.93960516 0.56039603 0.56039464 1.0 W W17 1 0.93960499 0.56039589 0.93960584 1.0 W W18 1 0.31036501 0.31036683 0.68963361 1.0 W W19 1 0.56038999 0.56039380 0.93960879 1.0 W W20 1 0.68964529 0.68965787 0.31034937 1.0 W W21 1 0.68963936 0.31035220 0.31035202 1.0 W W22 1 0.93960332 0.93960480 0.56039627 1.0 W W23 1 0.31036298 0.68963439 0.68963444 1.0 C C24 1 0.62496607 0.62496690 0.62496713 1.0 C C25 1 0.62496639 0.62496658 0.12509953 1.0 C C26 1 0.12510075 0.62496625 0.62496670 1.0 C C27 1 0.62496626 0.12510106 0.62496611 1.0