# generated using pymatgen data_PaMn2CoP2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.75086683 _cell_length_b 10.81312767 _cell_length_c 12.35183790 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural PaMn2CoP2 _chemical_formula_sum 'Pa6 Mn12 Co6 P12' _cell_volume 500.97327713 _cell_formula_units_Z 6 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 Pa Pa0 1 0.00000000 0.50000000 0.53282506 1.0 Pa Pa1 1 0.50000000 0.00000000 0.46717494 1.0 Pa Pa2 1 0.50000000 0.82433842 0.20029570 1.0 Pa Pa3 1 0.50000000 0.17566158 0.20029570 1.0 Pa Pa4 1 0.00000000 0.67566158 0.79970430 1.0 Pa Pa5 1 0.00000000 0.32433842 0.79970430 1.0 Mn Mn6 1 0.00000000 0.50000000 0.99078715 1.0 Mn Mn7 1 0.50000000 0.00000000 0.00921285 1.0 Mn Mn8 1 0.50000000 0.29742111 0.43306676 1.0 Mn Mn9 1 0.50000000 0.70257889 0.43306676 1.0 Mn Mn10 1 0.00000000 0.20257889 0.56693324 1.0 Mn Mn11 1 0.00000000 0.79742111 0.56693324 1.0 Mn Mn12 1 0.50000000 0.87625304 0.70281798 1.0 Mn Mn13 1 0.50000000 0.12374696 0.70281798 1.0 Mn Mn14 1 0.00000000 0.62374696 0.29718202 1.0 Mn Mn15 1 0.00000000 0.37625304 0.29718202 1.0 Mn Mn16 1 0.50000000 0.50000000 0.15358418 1.0 Mn Mn17 1 0.00000000 0.00000000 0.84641582 1.0 Co Co18 1 0.50000000 0.33241205 0.99424687 1.0 Co Co19 1 0.50000000 0.66758795 0.99424687 1.0 Co Co20 1 0.00000000 0.16758795 0.00575313 1.0 Co Co21 1 0.00000000 0.83241205 0.00575313 1.0 Co Co22 1 0.50000000 0.50000000 0.70659516 1.0 Co Co23 1 0.00000000 0.00000000 0.29340484 1.0 P P24 1 0.50000000 0.31876498 0.61946049 1.0 P P25 1 0.50000000 0.68123502 0.61946049 1.0 P P26 1 0.00000000 0.18123502 0.38053951 1.0 P P27 1 0.00000000 0.81876498 0.38053951 1.0 P P28 1 0.50000000 0.50000000 0.88649239 1.0 P P29 1 0.00000000 0.00000000 0.11350761 1.0 P P30 1 0.50000000 0.84226821 0.89636074 1.0 P P31 1 0.50000000 0.15773179 0.89636074 1.0 P P32 1 0.00000000 0.65773179 0.10363926 1.0 P P33 1 0.00000000 0.34226821 0.10363926 1.0 P P34 1 0.50000000 0.50000000 0.35395604 1.0 P P35 1 0.00000000 0.00000000 0.64604396 1.0