# generated using pymatgen data_ZrAs2O9 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.55927700 _cell_length_b 9.44400700 _cell_length_c 17.03997893 _cell_angle_alpha 68.46605497 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrAs2O9 _chemical_formula_sum 'Zr4 As8 O36' _cell_volume 832.18547041 _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 0.22199200 0.73622500 0.98500700 1.0 Zr Zr1 1 0.72199200 0.26377500 0.51499300 1.0 Zr Zr2 1 0.77800800 0.26377500 0.01499300 1.0 Zr Zr3 1 0.27800800 0.73622500 0.48500700 1.0 As As4 1 0.26830800 0.01674100 0.09471700 1.0 As As5 1 0.76830800 0.98325900 0.40528300 1.0 As As6 1 0.73169200 0.98325900 0.90528300 1.0 As As7 1 0.23169200 0.01674100 0.59471700 1.0 As As8 1 0.77451500 0.54101300 0.61283600 1.0 As As9 1 0.27451500 0.45898700 0.88716400 1.0 As As10 1 0.22548500 0.45898700 0.38716400 1.0 As As11 1 0.72548500 0.54101300 0.11283600 1.0 O O12 1 0.33333300 0.88713900 0.05285000 1.0 O O13 1 0.83333300 0.11286100 0.44715000 1.0 O O14 1 0.66666700 0.11286100 0.94715000 1.0 O O15 1 0.16666700 0.88713900 0.55285000 1.0 O O16 1 0.98026800 0.05991200 0.10482700 1.0 O O17 1 0.48026800 0.94008800 0.39517300 1.0 O O18 1 0.01973200 0.94008800 0.89517300 1.0 O O19 1 0.51973200 0.05991200 0.60482700 1.0 O O20 1 0.48343200 0.13825600 0.09890900 1.0 O O21 1 0.98343200 0.86174400 0.40109100 1.0 O O22 1 0.51656800 0.86174400 0.90109100 1.0 O O23 1 0.01656800 0.13825600 0.59890900 1.0 O O24 1 0.32328500 0.86194200 0.22606600 1.0 O O25 1 0.82328500 0.13805800 0.27393400 1.0 O O26 1 0.67671500 0.13805800 0.77393400 1.0 O O27 1 0.17671500 0.86194200 0.72606600 1.0 O O28 1 0.59234100 0.69185300 0.55130300 1.0 O O29 1 0.09234100 0.30814700 0.94869700 1.0 O O30 1 0.40765900 0.30814700 0.44869700 1.0 O O31 1 0.90765900 0.69185300 0.05130300 1.0 O O32 1 0.05591300 0.58492500 0.56542500 1.0 O O33 1 0.55591300 0.41507500 0.93457500 1.0 O O34 1 0.94408700 0.41507500 0.43457500 1.0 O O35 1 0.44408700 0.58492500 0.06542500 1.0 O O36 1 0.77495000 0.51046400 0.71525400 1.0 O O37 1 0.27495000 0.48953600 0.78474600 1.0 O O38 1 0.22505000 0.48953600 0.28474600 1.0 O O39 1 0.72505000 0.51046400 0.21525400 1.0 O O40 1 0.32651300 0.61296600 0.41158600 1.0 O O41 1 0.82651300 0.38703400 0.08841400 1.0 O O42 1 0.67348700 0.38703400 0.58841400 1.0 O O43 1 0.17348700 0.61296600 0.91158600 1.0 O O44 1 0.98456800 0.78847100 0.73942500 1.0 O O45 1 0.48456800 0.21152900 0.76057500 1.0 O O46 1 0.01543200 0.21152900 0.26057500 1.0 O O47 1 0.51543200 0.78847100 0.23942500 1.0