# generated using pymatgen data_Mn4As(PN2)6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.21756080 _cell_length_b 7.21756133 _cell_length_c 7.21756073 _cell_angle_alpha 109.47121621 _cell_angle_beta 109.47121768 _cell_angle_gamma 109.47122991 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn4As(PN2)6 _chemical_formula_sum 'Mn4 As1 P6 N12' _cell_volume 289.43395567 _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 0.34332190 0.34332190 0.34332190 1.0 Mn Mn1 1 0.00000000 0.65667810 1.00000000 1.0 Mn Mn2 1 0.65667810 0.00000000 0.00000000 1.0 Mn Mn3 1 1.00000000 1.00000000 0.65667810 1.0 As As4 1 0.00000000 0.00000000 0.00000000 1.0 P P5 1 0.50000000 0.25000000 0.75000000 1.0 P P6 1 0.50000000 0.75000000 0.25000000 1.0 P P7 1 0.75000000 0.25000000 0.50000000 1.0 P P8 1 0.25000000 0.50000000 0.75000000 1.0 P P9 1 0.75000000 0.50000000 0.25000000 1.0 P P10 1 0.25000000 0.75000000 0.50000000 1.0 N N11 1 1.00000000 0.72208360 0.43604767 1.0 N N12 1 0.27791640 0.71396408 0.27791640 1.0 N N13 1 0.28603592 0.56395233 0.56395233 1.0 N N14 1 0.56395233 0.56395233 0.28603592 1.0 N N15 1 0.56395233 0.28603592 0.56395233 1.0 N N16 1 0.72208360 1.00000000 0.43604767 1.0 N N17 1 0.43604767 1.00000000 0.72208360 1.0 N N18 1 0.72208360 0.43604767 1.00000000 1.0 N N19 1 0.27791640 0.27791640 0.71396408 1.0 N N20 1 0.71396408 0.27791640 0.27791640 1.0 N N21 1 0.00000000 0.43604767 0.72208360 1.0 N N22 1 0.43604767 0.72208360 0.00000000 1.0