# generated using pymatgen data_KLaH9W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.12759482 _cell_length_b 9.12759359 _cell_length_c 5.25173197 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999721 _symmetry_Int_Tables_number 1 _chemical_formula_structural KLaH9W _chemical_formula_sum 'K3 La3 H27 W3' _cell_volume 378.91853101 _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 K K0 1 0.00000000 0.60356521 0.00000000 1.0 K K1 1 0.39643479 0.39643479 0.00000000 1.0 K K2 1 0.60356521 0.00000000 0.00000000 1.0 La La3 1 1.00000000 0.26455213 0.50000000 1.0 La La4 1 0.73544787 0.73544787 0.50000000 1.0 La La5 1 0.26455213 0.00000000 0.50000000 1.0 H H6 1 0.80239330 0.32935627 0.73964179 1.0 H H7 1 0.67064373 0.47303603 0.73964179 1.0 H H8 1 0.52696397 0.19760670 0.73964179 1.0 H H9 1 0.19760670 0.52696397 0.26035821 1.0 H H10 1 0.52696397 0.19760670 0.26035821 1.0 H H11 1 0.80239330 0.32935627 0.26035821 1.0 H H12 1 0.67064373 0.47303603 0.26035821 1.0 H H13 1 0.32935627 0.80239330 0.73964179 1.0 H H14 1 0.47303603 0.67064373 0.73964179 1.0 H H15 1 0.19700018 1.00000000 0.00000000 1.0 H H16 1 0.80299982 0.80299982 0.00000000 1.0 H H17 1 0.00000000 0.19700018 0.00000000 1.0 H H18 1 0.86016450 0.00000000 0.25353423 1.0 H H19 1 0.13983550 0.13983550 0.74646577 1.0 H H20 1 1.00000000 0.86016450 0.74646577 1.0 H H21 1 1.00000000 0.86016450 0.25353423 1.0 H H22 1 0.13983550 0.13983550 0.25353423 1.0 H H23 1 0.86016450 0.00000000 0.74646577 1.0 H H24 1 0.14235945 0.66946100 0.50000000 1.0 H H25 1 0.52710156 0.85764055 0.50000000 1.0 H H26 1 0.33053900 0.47289844 0.50000000 1.0 H H27 1 0.47289844 0.33053900 0.50000000 1.0 H H28 1 0.85764055 0.52710156 0.50000000 1.0 H H29 1 0.66946100 0.14235945 0.50000000 1.0 H H30 1 0.19760670 0.52696397 0.73964179 1.0 H H31 1 0.32935627 0.80239330 0.26035821 1.0 H H32 1 0.47303603 0.67064373 0.26035821 1.0 W W33 1 0.66666700 0.33333300 0.50000000 1.0 W W34 1 0.33333300 0.66666700 0.50000000 1.0 W W35 1 0.00000000 0.00000000 0.00000000 1.0