# generated using pymatgen data_Ca3As2O19 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.89001472 _cell_length_b 11.66428942 _cell_length_c 6.09081846 _cell_angle_alpha 94.92327350 _cell_angle_beta 85.92569052 _cell_angle_gamma 109.41997802 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca3As2O19 _chemical_formula_sum 'Ca6 As4 O38' _cell_volume 792.91548195 _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 Ca Ca0 1 0.82542300 0.44032700 0.67717800 1.0 Ca Ca1 1 0.17457700 0.55967300 0.32282200 1.0 Ca Ca2 1 0.88276500 0.67761800 0.19110000 1.0 Ca Ca3 1 0.11723500 0.32238200 0.80890000 1.0 Ca Ca4 1 0.84945400 0.09611400 0.48478300 1.0 Ca Ca5 1 0.15054600 0.90388600 0.51521700 1.0 As As6 1 0.73113000 0.84205700 0.74251100 1.0 As As7 1 0.26887000 0.15794300 0.25748900 1.0 As As8 1 0.91003900 0.37219200 0.20215800 1.0 As As9 1 0.08996100 0.62780800 0.79784200 1.0 O O10 1 0.81189900 0.86635800 0.04034600 1.0 O O11 1 0.18810100 0.13364200 0.95965400 1.0 O O12 1 0.87183300 0.89266100 0.56627400 1.0 O O13 1 0.12816700 0.10733900 0.43372600 1.0 O O14 1 0.65934200 0.69470500 0.74754900 1.0 O O15 1 0.34065800 0.30529500 0.25245100 1.0 O O16 1 0.57882200 0.92962900 0.11104500 1.0 O O17 1 0.42117800 0.07037100 0.88895500 1.0 O O18 1 0.05639700 0.37648600 0.15722900 1.0 O O19 1 0.94360300 0.62351400 0.84277100 1.0 O O20 1 0.92201500 0.51632100 0.32577200 1.0 O O21 1 0.07798500 0.48367900 0.67422800 1.0 O O22 1 0.83717800 0.27968800 0.41106600 1.0 O O23 1 0.16282200 0.72031200 0.58893400 1.0 O O24 1 0.83488200 0.33661000 0.96533000 1.0 O O25 1 0.16511800 0.66339000 0.03467000 1.0 O O26 1 0.56824000 0.28769100 0.63238000 1.0 O O27 1 0.43176000 0.71230900 0.36762000 1.0 O O28 1 0.68549500 0.52494300 0.38849100 1.0 O O29 1 0.31450500 0.47505700 0.61150900 1.0 O O30 1 0.69888400 0.52025000 0.02162500 1.0 O O31 1 0.30111600 0.47975000 0.97837500 1.0 O O32 1 0.94114400 0.81356900 0.52737300 1.0 O O33 1 0.05885600 0.18643100 0.47262700 1.0 O O34 1 0.06166500 0.83486600 0.19321000 1.0 O O35 1 0.93833500 0.16513400 0.80679000 1.0 O O36 1 0.86810300 0.97838800 0.11618600 1.0 O O37 1 0.13189700 0.02161200 0.88381400 1.0 O O38 1 0.68659900 0.95578500 0.67210800 1.0 O O39 1 0.31340100 0.04421500 0.32789200 1.0 O O40 1 0.63976200 0.04120000 0.17276000 1.0 O O41 1 0.36023800 0.95880000 0.82724000 1.0 O O42 1 0.58396000 0.11825800 0.21202800 1.0 O O43 1 0.41604000 0.88174200 0.78797200 1.0 O O44 1 0.52943400 0.69961000 0.31979000 1.0 O O45 1 0.47056600 0.30039000 0.68021000 1.0 O O46 1 0.64346500 0.46357700 0.20093800 1.0 O O47 1 0.35653500 0.53642300 0.79906200 1.0