# generated using pymatgen data_TbTaMn4P3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.63087140 _cell_length_b 11.01602248 _cell_length_c 12.49432070 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TbTaMn4P3 _chemical_formula_sum 'Tb4 Ta4 Mn16 P12' _cell_volume 499.74485319 _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 Tb Tb0 1 0.25000000 0.59064675 0.70820851 1.0 Tb Tb1 1 0.25000000 0.90935325 0.20820851 1.0 Tb Tb2 1 0.75000000 0.40935325 0.29179149 1.0 Tb Tb3 1 0.75000000 0.09064675 0.79179149 1.0 Ta Ta4 1 0.25000000 0.71429460 0.97945993 1.0 Ta Ta5 1 0.25000000 0.78570540 0.47945993 1.0 Ta Ta6 1 0.75000000 0.28570540 0.02054007 1.0 Ta Ta7 1 0.75000000 0.21429460 0.52054007 1.0 Mn Mn8 1 0.25000000 0.41052907 0.49562169 1.0 Mn Mn9 1 0.25000000 0.08947093 0.99562169 1.0 Mn Mn10 1 0.75000000 0.58947093 0.50437831 1.0 Mn Mn11 1 0.75000000 0.91052907 0.00437831 1.0 Mn Mn12 1 0.25000000 0.20790760 0.18441884 1.0 Mn Mn13 1 0.25000000 0.29209240 0.68441884 1.0 Mn Mn14 1 0.75000000 0.79209240 0.81558116 1.0 Mn Mn15 1 0.75000000 0.70790760 0.31558116 1.0 Mn Mn16 1 0.25000000 0.88729854 0.68949306 1.0 Mn Mn17 1 0.25000000 0.61270146 0.18949306 1.0 Mn Mn18 1 0.75000000 0.11270146 0.31050694 1.0 Mn Mn19 1 0.75000000 0.38729854 0.81050694 1.0 Mn Mn20 1 0.25000000 0.46562433 0.93641205 1.0 Mn Mn21 1 0.25000000 0.03437567 0.43641205 1.0 Mn Mn22 1 0.75000000 0.53437567 0.06358795 1.0 Mn Mn23 1 0.75000000 0.96562433 0.56358795 1.0 P P24 1 0.25000000 0.41207570 0.11885828 1.0 P P25 1 0.25000000 0.08792430 0.61885828 1.0 P P26 1 0.75000000 0.58792430 0.88114172 1.0 P P27 1 0.75000000 0.91207570 0.38114172 1.0 P P28 1 0.25000000 0.26604554 0.87272234 1.0 P P29 1 0.25000000 0.23395446 0.37272234 1.0 P P30 1 0.75000000 0.73395446 0.12727766 1.0 P P31 1 0.75000000 0.76604554 0.62727766 1.0 P P32 1 0.25000000 0.58484892 0.37917603 1.0 P P33 1 0.25000000 0.91515108 0.87917603 1.0 P P34 1 0.75000000 0.41515108 0.62082397 1.0 P P35 1 0.75000000 0.08484892 0.12082397 1.0