# generated using pymatgen data_CaTa4O8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.05101663 _cell_length_b 7.05101553 _cell_length_c 9.65311332 _cell_angle_alpha 86.59681210 _cell_angle_beta 93.40317633 _cell_angle_gamma 86.45027657 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaTa4O8 _chemical_formula_sum 'Ca3 Ta12 O24' _cell_volume 477.19869977 _cell_formula_units_Z 3 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 0.62311518 0.37688482 0.12157800 1.0 Ca Ca1 1 0.89820219 0.10179781 0.39739076 1.0 Ca Ca2 1 0.37064622 0.62935378 0.87265418 1.0 Ta Ta3 1 0.09938174 0.90061826 0.09844402 1.0 Ta Ta4 1 0.59757782 0.40242218 0.59856213 1.0 Ta Ta5 1 0.39716044 0.60283956 0.39964080 1.0 Ta Ta6 1 0.90062353 0.09937647 0.89799208 1.0 Ta Ta7 1 0.60009451 0.83171108 0.61380681 1.0 Ta Ta8 1 0.10509670 0.32986108 0.11413675 1.0 Ta Ta9 1 0.67013892 0.89490330 0.11413675 1.0 Ta Ta10 1 0.16828992 0.39990549 0.61380681 1.0 Ta Ta11 1 0.32901271 0.10461430 0.88227871 1.0 Ta Ta12 1 0.83226565 0.60123632 0.38951374 1.0 Ta Ta13 1 0.39876368 0.16773435 0.38951374 1.0 Ta Ta14 1 0.89538570 0.67098729 0.88227871 1.0 O O15 1 0.59765205 0.08862859 0.25205965 1.0 O O16 1 0.08391066 0.58308863 0.75284392 1.0 O O17 1 0.41691137 0.91608934 0.75284392 1.0 O O18 1 0.91137141 0.40234795 0.25205965 1.0 O O19 1 0.82621515 0.82281248 0.50170915 1.0 O O20 1 0.33156999 0.33291300 0.99946018 1.0 O O21 1 0.17718752 0.17378485 0.50170915 1.0 O O22 1 0.66708700 0.66843001 0.99946018 1.0 O O23 1 0.18049860 0.09195140 0.23835918 1.0 O O24 1 0.67331234 0.59294649 0.73926704 1.0 O O25 1 0.12561590 0.59176186 0.45105428 1.0 O O26 1 0.62744565 0.10510902 0.96100815 1.0 O O27 1 0.09177206 0.18930023 0.76638867 1.0 O O28 1 0.59554389 0.67344376 0.26157155 1.0 O O29 1 0.60601686 0.12660979 0.54381402 1.0 O O30 1 0.10220738 0.62645019 0.04084573 1.0 O O31 1 0.81069977 0.90822794 0.76638867 1.0 O O32 1 0.32655624 0.40445611 0.26157155 1.0 O O33 1 0.87339021 0.39398314 0.54381402 1.0 O O34 1 0.37354981 0.89779262 0.04084573 1.0 O O35 1 0.90804860 0.81950140 0.23835918 1.0 O O36 1 0.40705351 0.32668766 0.73926704 1.0 O O37 1 0.40823814 0.87438410 0.45105428 1.0 O O38 1 0.89489098 0.37255435 0.96100815 1.0