# generated using pymatgen data_CsTaH5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.57272620 _cell_length_b 7.64399239 _cell_length_c 5.13652740 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CsTaH5 _chemical_formula_sum 'Cs4 Ta4 H20' _cell_volume 454.38661841 _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 Cs Cs0 1 0.66942360 0.06811578 0.33026740 1.0 Cs Cs1 1 0.16942360 0.43188322 0.33026740 1.0 Cs Cs2 1 0.83057640 0.56811578 0.83026740 1.0 Cs Cs3 1 0.33057640 0.93188422 0.83026740 1.0 Ta Ta4 1 0.51806317 0.55997125 0.30773069 1.0 Ta Ta5 1 0.01806317 0.94002875 0.30773069 1.0 Ta Ta6 1 0.98193683 0.05997025 0.80772969 1.0 Ta Ta7 1 0.48193683 0.44002975 0.80772969 1.0 H H8 1 0.34055450 0.33640273 0.81453761 1.0 H H9 1 0.84055450 0.16359727 0.81453761 1.0 H H10 1 0.97851581 0.70938820 0.31308931 1.0 H H11 1 0.47851581 0.79061080 0.31308931 1.0 H H12 1 0.59414239 0.40177370 0.07550078 1.0 H H13 1 0.09414139 0.09822630 0.07550078 1.0 H H14 1 0.38975219 0.54625487 0.07244874 1.0 H H15 1 0.88975219 0.95374613 0.07244874 1.0 H H16 1 0.95342734 0.14993445 0.45342147 1.0 H H17 1 0.45342734 0.35006655 0.45342147 1.0 H H18 1 0.15944550 0.83640273 0.31453661 1.0 H H19 1 0.65944550 0.66359627 0.31453661 1.0 H H20 1 0.52148519 0.20938820 0.81309131 1.0 H H21 1 0.02148519 0.29061080 0.81309131 1.0 H H22 1 0.90585861 0.90177270 0.57550078 1.0 H H23 1 0.40585861 0.59822730 0.57550078 1.0 H H24 1 0.11024781 0.04625387 0.57244874 1.0 H H25 1 0.61024781 0.45374613 0.57244874 1.0 H H26 1 0.54657266 0.64993445 0.95342347 1.0 H H27 1 0.04657266 0.85006655 0.95342347 1.0