# generated using pymatgen data_Cr2P3O13 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 21.89924400 _cell_length_b 6.21715900 _cell_length_c 8.53152549 _cell_angle_alpha 54.11322007 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cr2P3O13 _chemical_formula_sum 'Cr8 P12 O52' _cell_volume 941.08240508 _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 Cr Cr0 1 0.29059000 0.74285900 0.53984700 1.0 Cr Cr1 1 0.56433900 0.55472900 0.71856900 1.0 Cr Cr2 1 0.06433900 0.44527100 0.78143100 1.0 Cr Cr3 1 0.79059000 0.25714100 0.96015300 1.0 Cr Cr4 1 0.20941000 0.74285900 0.03984700 1.0 Cr Cr5 1 0.93566100 0.55472900 0.21856900 1.0 Cr Cr6 1 0.43566100 0.44527100 0.28143100 1.0 Cr Cr7 1 0.70941000 0.25714100 0.46015300 1.0 P P8 1 0.41776900 0.53503300 0.84928200 1.0 P P9 1 0.70396800 0.64241000 0.58381600 1.0 P P10 1 0.20396800 0.35759000 0.91618400 1.0 P P11 1 0.89923500 0.98275900 0.29276500 1.0 P P12 1 0.39923500 0.01724100 0.20723500 1.0 P P13 1 0.91776900 0.46496700 0.65071800 1.0 P P14 1 0.08223100 0.53503300 0.34928200 1.0 P P15 1 0.60076500 0.98275900 0.79276500 1.0 P P16 1 0.10076500 0.01724100 0.70723500 1.0 P P17 1 0.79603200 0.64241000 0.08381600 1.0 P P18 1 0.29603200 0.35759000 0.41618400 1.0 P P19 1 0.58223100 0.46496700 0.15071800 1.0 O O20 1 0.18942500 0.42758900 0.05935100 1.0 O O21 1 0.93337000 0.20186400 0.28474400 1.0 O O22 1 0.37713100 0.69898600 0.67369300 1.0 O O23 1 0.57401200 0.35707000 0.03071900 1.0 O O24 1 0.44141900 0.13292900 0.28457100 1.0 O O25 1 0.88561900 0.75483500 0.51608500 1.0 O O26 1 0.26237600 0.50919900 0.80263100 1.0 O O27 1 0.65135900 0.55751900 0.73163000 1.0 O O28 1 0.47970500 0.48073800 0.79371200 1.0 O O29 1 0.71254200 0.94496000 0.45850900 1.0 O O30 1 0.05702700 0.28970100 0.00801400 1.0 O O31 1 0.97970500 0.51926200 0.70628800 1.0 O O32 1 0.15135900 0.44248100 0.76837000 1.0 O O33 1 0.76237600 0.49080100 0.69736900 1.0 O O34 1 0.72503600 0.20530700 0.05534800 1.0 O O35 1 0.38561900 0.24516500 0.98391500 1.0 O O36 1 0.83563200 0.05965300 0.20066200 1.0 O O37 1 0.33563200 0.94034700 0.29933800 1.0 O O38 1 0.87713100 0.30101400 0.82630700 1.0 O O39 1 0.22503600 0.79469300 0.44465200 1.0 O O40 1 0.55702700 0.71029900 0.49198600 1.0 O O41 1 0.21254200 0.05504000 0.04149100 1.0 O O42 1 0.31057500 0.42758900 0.55935100 1.0 O O43 1 0.94141900 0.86707100 0.21542900 1.0 O O44 1 0.56663000 0.20186400 0.78474400 1.0 O O45 1 0.07401200 0.64293000 0.46928100 1.0 O O46 1 0.92598800 0.35707000 0.53071900 1.0 O O47 1 0.43337000 0.79813600 0.21525600 1.0 O O48 1 0.05858100 0.13292900 0.78457100 1.0 O O49 1 0.68942500 0.57241100 0.44064900 1.0 O O50 1 0.78745800 0.94496000 0.95850900 1.0 O O51 1 0.44297300 0.28970100 0.50801400 1.0 O O52 1 0.77496400 0.20530700 0.55534800 1.0 O O53 1 0.12286900 0.69898600 0.17369300 1.0 O O54 1 0.66436800 0.05965300 0.70066200 1.0 O O55 1 0.16436800 0.94034700 0.79933800 1.0 O O56 1 0.61438100 0.75483500 0.01608500 1.0 O O57 1 0.27496400 0.79469300 0.94465200 1.0 O O58 1 0.23762400 0.50919900 0.30263100 1.0 O O59 1 0.84864100 0.55751900 0.23163000 1.0 O O60 1 0.02029500 0.48073800 0.29371200 1.0 O O61 1 0.94297300 0.71029900 0.99198600 1.0 O O62 1 0.28745800 0.05504000 0.54149100 1.0 O O63 1 0.52029500 0.51926200 0.20628800 1.0 O O64 1 0.34864100 0.44248100 0.26837000 1.0 O O65 1 0.73762400 0.49080100 0.19736900 1.0 O O66 1 0.11438100 0.24516500 0.48391500 1.0 O O67 1 0.55858100 0.86707100 0.71542900 1.0 O O68 1 0.42598800 0.64293000 0.96928100 1.0 O O69 1 0.62286900 0.30101400 0.32630700 1.0 O O70 1 0.06663000 0.79813600 0.71525600 1.0 O O71 1 0.81057500 0.57241100 0.94064900 1.0