# generated using pymatgen data_CaTa11(BOs)12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.10949408 _cell_length_b 9.08616555 _cell_length_c 15.82253162 _cell_angle_alpha 90.11568927 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaTa11(BOs)12 _chemical_formula_sum 'Ca1 Ta11 B12 Os12' _cell_volume 447.03905564 _cell_formula_units_Z 1 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 0.00000000 0.82027970 0.70966986 1.0 Ta Ta1 1 0.00000000 0.80105377 0.49368317 1.0 Ta Ta2 1 0.00000000 0.19812289 0.50423321 1.0 Ta Ta3 1 0.00000000 0.29773749 0.00539437 1.0 Ta Ta4 1 0.00000000 0.69875316 0.99742686 1.0 Ta Ta5 1 0.00000000 0.51709265 0.59312573 1.0 Ta Ta6 1 0.00000000 0.48272367 0.40597971 1.0 Ta Ta7 1 0.00000000 0.01409109 0.90613117 1.0 Ta Ta8 1 0.00000000 0.98381657 0.09405811 1.0 Ta Ta9 1 0.00000000 0.68663662 0.20374025 1.0 Ta Ta10 1 0.00000000 0.31846224 0.79577076 1.0 Ta Ta11 1 0.00000000 0.18718174 0.29602075 1.0 B B12 1 0.50000000 0.60490960 0.49374144 1.0 B B13 1 0.50000000 0.39435450 0.50281826 1.0 B B14 1 0.50000000 0.10412783 0.00385312 1.0 B B15 1 0.50000000 0.89440972 0.99819466 1.0 B B16 1 0.00000000 0.60895392 0.83213921 1.0 B B17 1 0.00000000 0.39082855 0.16765222 1.0 B B18 1 0.00000000 0.10931939 0.66569877 1.0 B B19 1 0.00000000 0.88998795 0.33164005 1.0 B B20 1 0.50000000 0.71284509 0.58988837 1.0 B B21 1 0.50000000 0.28426506 0.40061830 1.0 B B22 1 0.50000000 0.21439388 0.90267951 1.0 B B23 1 0.50000000 0.78455599 0.10000848 1.0 Os Os24 1 0.50000000 0.71852652 0.35445563 1.0 Os Os25 1 0.50000000 0.28291909 0.64083608 1.0 Os Os26 1 0.50000000 0.21849006 0.14421900 1.0 Os Os27 1 0.50000000 0.77512113 0.86490689 1.0 Os Os28 1 0.50000000 0.51524682 0.09567834 1.0 Os Os29 1 0.50000000 0.47947592 0.90914343 1.0 Os Os30 1 0.50000000 0.01766167 0.40209622 1.0 Os Os31 1 0.50000000 0.99164578 0.58869469 1.0 Os Os32 1 0.50000000 0.55014074 0.73842342 1.0 Os Os33 1 0.50000000 0.43603243 0.26606075 1.0 Os Os34 1 0.50000000 0.07886520 0.76831927 1.0 Os Os35 1 0.50000000 0.93697257 0.23299794 1.0