# generated using pymatgen data_Ce6TmPaH24 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.85367232 _cell_length_b 6.85367232 _cell_length_c 6.85367232 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ce6TmPaH24 _chemical_formula_sum 'Ce6 Tm1 Pa1 H24' _cell_volume 321.93634606 _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 Ce Ce0 1 0.24632018 0.00000000 0.50000000 1.0 Ce Ce1 1 0.75367982 0.00000000 0.50000000 1.0 Ce Ce2 1 0.00000000 0.50000000 0.24632018 1.0 Ce Ce3 1 0.00000000 0.50000000 0.75367982 1.0 Ce Ce4 1 0.50000000 0.75367982 0.00000000 1.0 Ce Ce5 1 0.50000000 0.24632018 0.00000000 1.0 Tm Tm6 1 0.00000000 0.00000000 0.00000000 1.0 Pa Pa7 1 0.50000000 0.50000000 0.50000000 1.0 H H8 1 0.00000000 0.15340322 0.29712612 1.0 H H9 1 0.50000000 0.20641808 0.65171334 1.0 H H10 1 0.50000000 0.79358192 0.34828666 1.0 H H11 1 0.79358192 0.65171334 0.50000000 1.0 H H12 1 0.20641808 0.65171334 0.50000000 1.0 H H13 1 0.34828666 0.50000000 0.79358192 1.0 H H14 1 0.65171334 0.50000000 0.79358192 1.0 H H15 1 0.29712612 0.00000000 0.15340322 1.0 H H16 1 0.15340322 0.29712612 0.00000000 1.0 H H17 1 0.84659678 0.70287388 0.00000000 1.0 H H18 1 0.29712612 0.00000000 0.84659678 1.0 H H19 1 0.84659678 0.29712612 0.00000000 1.0 H H20 1 0.70287388 0.00000000 0.15340322 1.0 H H21 1 0.70287388 0.00000000 0.84659678 1.0 H H22 1 0.15340322 0.70287388 0.00000000 1.0 H H23 1 0.00000000 0.84659678 0.70287388 1.0 H H24 1 0.00000000 0.15340322 0.70287388 1.0 H H25 1 0.00000000 0.84659678 0.29712612 1.0 H H26 1 0.65171334 0.50000000 0.20641808 1.0 H H27 1 0.34828666 0.50000000 0.20641808 1.0 H H28 1 0.79358192 0.34828666 0.50000000 1.0 H H29 1 0.20641808 0.34828666 0.50000000 1.0 H H30 1 0.50000000 0.79358192 0.65171334 1.0 H H31 1 0.50000000 0.20641808 0.34828666 1.0