# generated using pymatgen data_Sc7NbH16 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.70059416 _cell_length_b 6.70059418 _cell_length_c 6.70059369 _cell_angle_alpha 60.00000241 _cell_angle_beta 60.00000228 _cell_angle_gamma 60.00000448 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc7NbH16 _chemical_formula_sum 'Sc7 Nb1 H16' _cell_volume 212.72814188 _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 Sc Sc0 1 0.00000000 0.00000000 0.50000000 1.0 Sc Sc1 1 0.50000000 0.00000000 0.50000000 1.0 Sc Sc2 1 0.00000000 0.50000000 0.50000000 1.0 Sc Sc3 1 0.50000000 0.50000000 0.00000000 1.0 Sc Sc4 1 0.00000000 0.50000000 0.00000000 1.0 Sc Sc5 1 0.50000000 0.00000000 0.00000000 1.0 Sc Sc6 1 0.50000000 0.50000000 0.50000000 1.0 Nb Nb7 1 0.00000000 0.00000000 0.00000000 1.0 H H8 1 0.87998022 0.87998022 0.36006135 1.0 H H9 1 0.87998022 0.36006135 0.87998022 1.0 H H10 1 0.36006135 0.87998022 0.87998022 1.0 H H11 1 0.87998022 0.87998022 0.87998022 1.0 H H12 1 0.12001978 0.12001978 0.63993865 1.0 H H13 1 0.12001978 0.63993865 0.12001978 1.0 H H14 1 0.63993865 0.12001978 0.12001978 1.0 H H15 1 0.12001978 0.12001978 0.12001978 1.0 H H16 1 0.62502241 0.62502241 0.12493076 1.0 H H17 1 0.62502241 0.12493076 0.62502241 1.0 H H18 1 0.12493076 0.62502241 0.62502241 1.0 H H19 1 0.62502241 0.62502241 0.62502241 1.0 H H20 1 0.37497759 0.37497759 0.87506924 1.0 H H21 1 0.37497759 0.87506924 0.37497759 1.0 H H22 1 0.87506924 0.37497759 0.37497759 1.0 H H23 1 0.37497759 0.37497759 0.37497759 1.0