# generated using pymatgen data_Mn3Fe3AsP2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.22129850 _cell_length_b 6.22129974 _cell_length_c 3.21400515 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000431 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn3Fe3AsP2 _chemical_formula_sum 'Mn3 Fe3 As1 P2' _cell_volume 107.73066640 _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 Mn Mn0 1 0.59495479 0.98413774 0.50000000 1.0 Mn Mn1 1 0.38918195 0.40504521 0.50000000 1.0 Mn Mn2 1 0.01586226 0.61081805 0.50000000 1.0 Fe Fe3 1 0.25042543 0.99234667 0.00000000 1.0 Fe Fe4 1 0.74192124 0.74957457 0.00000000 1.0 Fe Fe5 1 0.00765333 0.25807876 0.00000000 1.0 As As6 1 0.66666700 0.33333300 0.00000000 1.0 P P7 1 0.33333300 0.66666700 0.00000000 1.0 P P8 1 0.00000000 0.00000000 0.50000000 1.0