# generated using pymatgen data_ZrFe(PO4)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.83422600 _cell_length_b 8.85022400 _cell_length_c 12.37064700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrFe(PO4)3 _chemical_formula_sum 'Zr4 Fe4 P12 O48' _cell_volume 967.19753843 _cell_formula_units_Z 4 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 Zr Zr0 1 0.99996900 0.02587700 0.62277200 1.0 Zr Zr1 1 0.00003100 0.97412300 0.12277200 1.0 Zr Zr2 1 0.49996900 0.47412300 0.12277200 1.0 Zr Zr3 1 0.50003100 0.52587700 0.62277200 1.0 Fe Fe4 1 0.00124600 0.46765100 0.38619100 1.0 Fe Fe5 1 0.99875400 0.53234900 0.88619100 1.0 Fe Fe6 1 0.50124600 0.03234900 0.88619100 1.0 Fe Fe7 1 0.49875400 0.96765100 0.38619100 1.0 P P8 1 0.77953700 0.74108100 0.48484400 1.0 P P9 1 0.83349000 0.86556400 0.86510900 1.0 P P10 1 0.88573200 0.59036100 0.15135800 1.0 P P11 1 0.16651000 0.13443600 0.36510900 1.0 P P12 1 0.11426800 0.40963900 0.65135800 1.0 P P13 1 0.22046300 0.25891900 0.98484400 1.0 P P14 1 0.27953700 0.75891900 0.98484400 1.0 P P15 1 0.33349000 0.63443600 0.36510900 1.0 P P16 1 0.38573200 0.90963900 0.65135800 1.0 P P17 1 0.61426800 0.09036100 0.15135800 1.0 P P18 1 0.66651000 0.36556400 0.86510900 1.0 P P19 1 0.72046300 0.24108100 0.48484400 1.0 O O20 1 0.80753500 0.14716200 0.56994300 1.0 O O21 1 0.82873400 0.33098300 0.41128600 1.0 O O22 1 0.83957600 0.38081900 0.86238000 1.0 O O23 1 0.78890000 0.07510700 0.15440300 1.0 O O24 1 0.85805600 0.63591600 0.40340800 1.0 O O25 1 0.89536600 0.84265000 0.54339400 1.0 O O26 1 0.95122400 0.53908100 0.04153800 1.0 O O27 1 0.89961300 0.92225800 0.97291400 1.0 O O28 1 0.85466900 0.69363900 0.85452100 1.0 O O29 1 0.92995100 0.75580700 0.17585100 1.0 O O30 1 0.90912100 0.95100100 0.76974700 1.0 O O31 1 0.95700600 0.47525900 0.23003400 1.0 O O32 1 0.04299400 0.52474100 0.73003400 1.0 O O33 1 0.09087900 0.04899900 0.26974700 1.0 O O34 1 0.14533100 0.30636100 0.35452100 1.0 O O35 1 0.07004900 0.24419300 0.67585100 1.0 O O36 1 0.10038700 0.07774200 0.47291400 1.0 O O37 1 0.04877600 0.46091900 0.54153800 1.0 O O38 1 0.14194400 0.36408400 0.90340800 1.0 O O39 1 0.10463400 0.15735000 0.04339400 1.0 O O40 1 0.16042400 0.61918100 0.36238000 1.0 O O41 1 0.21110000 0.92489300 0.65440300 1.0 O O42 1 0.17126600 0.66901700 0.91128600 1.0 O O43 1 0.19246500 0.85283800 0.06994300 1.0 O O44 1 0.32873400 0.16901700 0.91128600 1.0 O O45 1 0.30753500 0.35283800 0.06994300 1.0 O O46 1 0.33957600 0.11918100 0.36238000 1.0 O O47 1 0.28890000 0.42489300 0.65440300 1.0 O O48 1 0.35805600 0.86408400 0.90340800 1.0 O O49 1 0.39536600 0.65735000 0.04339400 1.0 O O50 1 0.39961300 0.57774200 0.47291400 1.0 O O51 1 0.45122400 0.96091900 0.54153800 1.0 O O52 1 0.42995100 0.74419300 0.67585100 1.0 O O53 1 0.35466900 0.80636100 0.35452100 1.0 O O54 1 0.45700600 0.02474100 0.73003400 1.0 O O55 1 0.40912100 0.54899900 0.26974700 1.0 O O56 1 0.59087900 0.45100100 0.76974700 1.0 O O57 1 0.54299400 0.97525900 0.23003400 1.0 O O58 1 0.64533100 0.19363900 0.85452100 1.0 O O59 1 0.57004900 0.25580700 0.17585100 1.0 O O60 1 0.54877600 0.03908100 0.04153800 1.0 O O61 1 0.60038700 0.42225800 0.97291400 1.0 O O62 1 0.64194400 0.13591600 0.40340800 1.0 O O63 1 0.60463400 0.34265000 0.54339400 1.0 O O64 1 0.71110000 0.57510700 0.15440300 1.0 O O65 1 0.66042400 0.88081900 0.86238000 1.0 O O66 1 0.69246500 0.64716200 0.56994300 1.0 O O67 1 0.67126600 0.83098300 0.41128600 1.0