# generated using pymatgen data_Ca3As2(W5O4)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.82601500 _cell_length_b 11.06381478 _cell_length_c 13.43119319 _cell_angle_alpha 107.24277335 _cell_angle_beta 93.91588676 _cell_angle_gamma 94.59721504 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca3As2(W5O4)2 _chemical_formula_sum 'Ca6 As4 W20 O16' _cell_volume 820.31619837 _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 0.10391500 0.77130000 0.30492500 1.0 Ca Ca1 1 0.89608500 0.22870000 0.69507500 1.0 Ca Ca2 1 0.08873900 0.42818300 0.33774500 1.0 Ca Ca3 1 0.91126100 0.57181700 0.66225500 1.0 Ca Ca4 1 0.54712200 0.24197700 0.38916800 1.0 Ca Ca5 1 0.45287800 0.75802300 0.61083200 1.0 As As6 1 0.45217300 0.97954200 0.20246800 1.0 As As7 1 0.54782700 0.02045800 0.79753200 1.0 As As8 1 0.31000200 0.42868500 0.56073800 1.0 As As9 1 0.68999800 0.57131500 0.43926200 1.0 W W10 1 0.36633100 0.07351900 0.58755700 1.0 W W11 1 0.63366900 0.92648100 0.41244300 1.0 W W12 1 0.96934100 0.31937300 0.06871600 1.0 W W13 1 0.03065900 0.68062700 0.93128400 1.0 W W14 1 0.58453600 0.67485300 0.27756400 1.0 W W15 1 0.41546400 0.32514700 0.72243600 1.0 W W16 1 0.84912000 0.57424400 0.08286000 1.0 W W17 1 0.15088000 0.42575600 0.91714000 1.0 W W18 1 0.84705000 0.83999300 0.83377900 1.0 W W19 1 0.15295000 0.16000700 0.16622100 1.0 W W20 1 0.62592900 0.14486400 0.09164600 1.0 W W21 1 0.37407100 0.85513600 0.90835400 1.0 W W22 1 0.43676600 0.39578800 0.12854700 1.0 W W23 1 0.56323400 0.60421200 0.87145300 1.0 W W24 1 0.70994400 0.84085500 0.05471100 1.0 W W25 1 0.29005600 0.15914500 0.94528900 1.0 W W26 1 0.39229800 0.62346700 0.07615700 1.0 W W27 1 0.60770200 0.37653300 0.92384300 1.0 W W28 1 0.08070800 0.06964100 0.41493900 1.0 W W29 1 0.91929200 0.93035900 0.58506100 1.0 O O30 1 0.10562200 0.72780400 0.10229300 1.0 O O31 1 0.89437800 0.27219600 0.89770700 1.0 O O32 1 0.52770200 0.49424900 0.68083400 1.0 O O33 1 0.47229800 0.50575100 0.31916600 1.0 O O34 1 0.78727900 0.42510800 0.44537500 1.0 O O35 1 0.21272100 0.57489200 0.55462500 1.0 O O36 1 0.09424900 0.38617400 0.63862000 1.0 O O37 1 0.90575100 0.61382600 0.36138000 1.0 O O38 1 0.15204300 0.21550400 0.33665600 1.0 O O39 1 0.84795700 0.78449600 0.66334400 1.0 O O40 1 0.67100600 0.05254000 0.32384700 1.0 O O41 1 0.32899400 0.94746000 0.67615300 1.0 O O42 1 0.20885200 0.95596400 0.27793100 1.0 O O43 1 0.79114800 0.04403600 0.72206900 1.0 O O44 1 0.85138600 0.02390000 0.13089700 1.0 O O45 1 0.14861400 0.97610000 0.86910300 1.0