# generated using pymatgen data_Na6Fe2P(CO4)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.20194572 _cell_length_b 10.20194572 _cell_length_c 10.20194572 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na6Fe2P(CO4)4 _chemical_formula_sum 'Na12 Fe4 P2 C8 O32' _cell_volume 750.81687962 _cell_formula_units_Z 2 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 Na Na0 1 0.95842000 0.54158000 0.54158000 1.0 Na Na1 1 0.29158000 0.70842000 0.29158000 1.0 Na Na2 1 0.54158000 0.54158000 0.95842000 1.0 Na Na3 1 0.95842000 0.95842000 0.54158000 1.0 Na Na4 1 0.70842000 0.29158000 0.29158000 1.0 Na Na5 1 0.70842000 0.29158000 0.70842000 1.0 Na Na6 1 0.54158000 0.95842000 0.54158000 1.0 Na Na7 1 0.54158000 0.95842000 0.95842000 1.0 Na Na8 1 0.70842000 0.70842000 0.29158000 1.0 Na Na9 1 0.29158000 0.29158000 0.70842000 1.0 Na Na10 1 0.95842000 0.54158000 0.95842000 1.0 Na Na11 1 0.29158000 0.70842000 0.70842000 1.0 Fe Fe12 1 0.62500000 0.12500000 0.12500000 1.0 Fe Fe13 1 0.12500000 0.12500000 0.62500000 1.0 Fe Fe14 1 0.12500000 0.62500000 0.12500000 1.0 Fe Fe15 1 0.12500000 0.12500000 0.12500000 1.0 P P16 1 0.75000000 0.75000000 0.75000000 1.0 P P17 1 0.50000000 0.50000000 0.50000000 1.0 C C18 1 0.97684000 0.34105300 0.34105300 1.0 C C19 1 0.34105300 0.34105300 0.97684000 1.0 C C20 1 0.34105300 0.34105300 0.34105300 1.0 C C21 1 0.34105300 0.97684000 0.34105300 1.0 C C22 1 0.90894700 0.27316000 0.90894700 1.0 C C23 1 0.90894700 0.90894700 0.90894700 1.0 C C24 1 0.90894700 0.90894700 0.27316000 1.0 C C25 1 0.27316000 0.90894700 0.90894700 1.0 O O26 1 0.02210300 0.76986600 0.27554900 1.0 O O27 1 0.27554900 0.93248200 0.02210300 1.0 O O28 1 0.97445100 0.48013400 0.31751800 1.0 O O29 1 0.97445100 0.22789700 0.48013400 1.0 O O30 1 0.68736900 0.93789200 0.68736900 1.0 O O31 1 0.31751800 0.48013400 0.22789700 1.0 O O32 1 0.22789700 0.31751800 0.48013400 1.0 O O33 1 0.68736900 0.68736900 0.68736900 1.0 O O34 1 0.68736900 0.68736900 0.93789200 1.0 O O35 1 0.31751800 0.22789700 0.97445100 1.0 O O36 1 0.48013400 0.31751800 0.97445100 1.0 O O37 1 0.93789200 0.68736900 0.68736900 1.0 O O38 1 0.22789700 0.97445100 0.31751800 1.0 O O39 1 0.48013400 0.22789700 0.31751800 1.0 O O40 1 0.31751800 0.97445100 0.48013400 1.0 O O41 1 0.76986600 0.27554900 0.02210300 1.0 O O42 1 0.48013400 0.97445100 0.22789700 1.0 O O43 1 0.93248200 0.27554900 0.76986600 1.0 O O44 1 0.76986600 0.02210300 0.93248200 1.0 O O45 1 0.02210300 0.27554900 0.93248200 1.0 O O46 1 0.31210800 0.56263100 0.56263100 1.0 O O47 1 0.76986600 0.93248200 0.27554900 1.0 O O48 1 0.93248200 0.02210300 0.27554900 1.0 O O49 1 0.56263100 0.56263100 0.31210800 1.0 O O50 1 0.56263100 0.56263100 0.56263100 1.0 O O51 1 0.02210300 0.93248200 0.76986600 1.0 O O52 1 0.93248200 0.76986600 0.02210300 1.0 O O53 1 0.56263100 0.31210800 0.56263100 1.0 O O54 1 0.27554900 0.02210300 0.76986600 1.0 O O55 1 0.27554900 0.76986600 0.93248200 1.0 O O56 1 0.97445100 0.31751800 0.22789700 1.0 O O57 1 0.22789700 0.48013400 0.97445100 1.0