# generated using pymatgen data_Na7Fe4(PO4)6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.89609540 _cell_length_b 9.89609540 _cell_length_c 9.89609504 _cell_angle_alpha 86.67409009 _cell_angle_beta 86.67409009 _cell_angle_gamma 86.67408996 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na7Fe4(PO4)6 _chemical_formula_sum 'Na14 Fe8 P12 O48' _cell_volume 964.43617281 _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 0.21727100 0.65123300 0.46727900 1.0 Na Na1 1 0.78272900 0.34876700 0.53272100 1.0 Na Na2 1 0.53272100 0.78272900 0.34876700 1.0 Na Na3 1 0.96727900 0.15123300 0.71727100 1.0 Na Na4 1 0.65123300 0.46727900 0.21727100 1.0 Na Na5 1 0.46727900 0.21727100 0.65123300 1.0 Na Na6 1 0.34876700 0.53272100 0.78272900 1.0 Na Na7 1 0.28272900 0.03272100 0.84876700 1.0 Na Na8 1 0.50000000 0.50000000 0.50000000 1.0 Na Na9 1 0.84876700 0.28272900 0.03272100 1.0 Na Na10 1 0.03272100 0.84876700 0.28272900 1.0 Na Na11 1 0.71727100 0.96727900 0.15123300 1.0 Na Na12 1 0.15123300 0.71727100 0.96727900 1.0 Na Na13 1 0.00000000 0.00000000 0.00000000 1.0 Fe Fe14 1 0.02836700 0.47163300 0.25000000 1.0 Fe Fe15 1 0.97163300 0.52836700 0.75000000 1.0 Fe Fe16 1 0.47163300 0.25000000 0.02836700 1.0 Fe Fe17 1 0.52836700 0.75000000 0.97163300 1.0 Fe Fe18 1 0.25000000 0.02836700 0.47163300 1.0 Fe Fe19 1 0.75000000 0.75000000 0.75000000 1.0 Fe Fe20 1 0.75000000 0.97163300 0.52836700 1.0 Fe Fe21 1 0.25000000 0.25000000 0.25000000 1.0 P P22 1 0.34362600 0.55096000 0.17255300 1.0 P P23 1 0.82744700 0.65637400 0.44904000 1.0 P P24 1 0.55096000 0.17255300 0.34362600 1.0 P P25 1 0.67255300 0.05096000 0.84362600 1.0 P P26 1 0.17255300 0.34362600 0.55096000 1.0 P P27 1 0.15637400 0.32744700 0.94904000 1.0 P P28 1 0.94904000 0.15637400 0.32744700 1.0 P P29 1 0.65637400 0.44904000 0.82744700 1.0 P P30 1 0.84362600 0.67255300 0.05096000 1.0 P P31 1 0.05096000 0.84362600 0.67255300 1.0 P P32 1 0.44904000 0.82744700 0.65637400 1.0 P P33 1 0.32744700 0.94904000 0.15637400 1.0 O O34 1 0.38837100 0.61483400 0.03052800 1.0 O O35 1 0.40226700 0.71178800 0.57839900 1.0 O O36 1 0.37513300 0.39178700 0.16823100 1.0 O O37 1 0.16823100 0.37513300 0.39178700 1.0 O O38 1 0.08558800 0.68835700 0.69360500 1.0 O O39 1 0.78821200 0.09773300 0.92160100 1.0 O O40 1 0.21178800 0.90226700 0.07839900 1.0 O O41 1 0.11483400 0.88837100 0.53052800 1.0 O O42 1 0.61162900 0.38516600 0.96947200 1.0 O O43 1 0.61483400 0.03052800 0.38837100 1.0 O O44 1 0.96947200 0.61162900 0.38516600 1.0 O O45 1 0.18835700 0.58558800 0.19360500 1.0 O O46 1 0.33176900 0.10821300 0.12486700 1.0 O O47 1 0.68835700 0.69360500 0.08558800 1.0 O O48 1 0.41441200 0.80639500 0.81164300 1.0 O O49 1 0.09773300 0.92160100 0.78821200 1.0 O O50 1 0.81164300 0.41441200 0.80639500 1.0 O O51 1 0.91441200 0.31164300 0.30639500 1.0 O O52 1 0.88516600 0.11162900 0.46947200 1.0 O O53 1 0.90226700 0.07839900 0.21178800 1.0 O O54 1 0.30639500 0.91441200 0.31164300 1.0 O O55 1 0.57839900 0.40226700 0.71178800 1.0 O O56 1 0.11162900 0.46947200 0.88516600 1.0 O O57 1 0.60821300 0.83176900 0.62486700 1.0 O O58 1 0.03052800 0.38837100 0.61483400 1.0 O O59 1 0.83176900 0.62486700 0.60821300 1.0 O O60 1 0.10821300 0.12486700 0.33176900 1.0 O O61 1 0.88837100 0.53052800 0.11483400 1.0 O O62 1 0.12486700 0.33176900 0.10821300 1.0 O O63 1 0.46947200 0.88516600 0.11162900 1.0 O O64 1 0.07839900 0.21178800 0.90226700 1.0 O O65 1 0.31164300 0.30639500 0.91441200 1.0 O O66 1 0.42160100 0.59773300 0.28821200 1.0 O O67 1 0.53052800 0.11483400 0.88837100 1.0 O O68 1 0.62486700 0.60821300 0.83176900 1.0 O O69 1 0.59773300 0.28821200 0.42160100 1.0 O O70 1 0.92160100 0.78821200 0.09773300 1.0 O O71 1 0.28821200 0.42160100 0.59773300 1.0 O O72 1 0.71178800 0.57839900 0.40226700 1.0 O O73 1 0.66823100 0.89178700 0.87513300 1.0 O O74 1 0.19360500 0.18835700 0.58558800 1.0 O O75 1 0.69360500 0.08558800 0.68835700 1.0 O O76 1 0.38516600 0.96947200 0.61162900 1.0 O O77 1 0.39178700 0.16823100 0.37513300 1.0 O O78 1 0.80639500 0.81164300 0.41441200 1.0 O O79 1 0.58558800 0.19360500 0.18835700 1.0 O O80 1 0.87513300 0.66823100 0.89178700 1.0 O O81 1 0.89178700 0.87513300 0.66823100 1.0