# generated using pymatgen data_K3(MnSe2)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.45142814 _cell_length_b 12.12918165 _cell_length_c 11.82199695 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K3(MnSe2)2 _chemical_formula_sum 'K12 Mn8 Se16' _cell_volume 1068.46883939 _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 K K0 1 0.08469681 0.25000000 0.76549697 1.0 K K1 1 0.58469681 0.25000000 0.73450303 1.0 K K2 1 0.91530319 0.75000000 0.23450303 1.0 K K3 1 0.41530319 0.75000000 0.26549697 1.0 K K4 1 0.06978558 0.42225440 0.13639524 1.0 K K5 1 0.56978558 0.07774560 0.36360476 1.0 K K6 1 0.93021442 0.92225440 0.86360476 1.0 K K7 1 0.43021442 0.57774560 0.63639524 1.0 K K8 1 0.93021442 0.57774560 0.86360476 1.0 K K9 1 0.43021442 0.92225440 0.63639524 1.0 K K10 1 0.06978558 0.07774560 0.13639524 1.0 K K11 1 0.56978558 0.42225440 0.36360476 1.0 Mn Mn12 1 0.05856186 0.37692240 0.46548964 1.0 Mn Mn13 1 0.55856186 0.12307760 0.03451036 1.0 Mn Mn14 1 0.94143814 0.87692240 0.53451036 1.0 Mn Mn15 1 0.44143814 0.62307760 0.96548964 1.0 Mn Mn16 1 0.94143814 0.62307760 0.53451036 1.0 Mn Mn17 1 0.44143814 0.87692240 0.96548964 1.0 Mn Mn18 1 0.05856186 0.12307760 0.46548964 1.0 Mn Mn19 1 0.55856186 0.37692240 0.03451036 1.0 Se Se20 1 0.16485650 0.55658887 0.38857550 1.0 Se Se21 1 0.66485650 0.94341113 0.11142450 1.0 Se Se22 1 0.83514350 0.05658887 0.61142450 1.0 Se Se23 1 0.33514350 0.44341113 0.88857550 1.0 Se Se24 1 0.83514350 0.44341113 0.61142450 1.0 Se Se25 1 0.33514350 0.05658887 0.88857550 1.0 Se Se26 1 0.16485650 0.94341113 0.38857550 1.0 Se Se27 1 0.66485650 0.55658887 0.11142450 1.0 Se Se28 1 0.30536679 0.25000000 0.52499702 1.0 Se Se29 1 0.80536679 0.25000000 0.97500298 1.0 Se Se30 1 0.69463321 0.75000000 0.47500298 1.0 Se Se31 1 0.19463321 0.75000000 0.02499702 1.0 Se Se32 1 0.40814890 0.25000000 0.16736057 1.0 Se Se33 1 0.90814890 0.25000000 0.33263943 1.0 Se Se34 1 0.59185110 0.75000000 0.83263943 1.0 Se Se35 1 0.09185110 0.75000000 0.66736057 1.0