# generated using pymatgen data_Yb2CrH9 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.22687537 _cell_length_b 8.22687524 _cell_length_c 4.68864414 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000450 _symmetry_Int_Tables_number 1 _chemical_formula_structural Yb2CrH9 _chemical_formula_sum 'Yb6 Cr3 H27' _cell_volume 274.81960647 _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 Yb Yb0 1 0.00000000 0.26654632 0.50000000 1.0 Yb Yb1 1 0.73345368 0.73345368 0.50000000 1.0 Yb Yb2 1 0.26654632 0.00000000 0.50000000 1.0 Yb Yb3 1 0.00000000 0.58926446 0.00000000 1.0 Yb Yb4 1 0.41073554 0.41073554 0.00000000 1.0 Yb Yb5 1 0.58926446 0.00000000 0.00000000 1.0 Cr Cr6 1 0.66666700 0.33333300 0.50000000 1.0 Cr Cr7 1 0.33333300 0.66666700 0.50000000 1.0 Cr Cr8 1 0.00000000 0.00000000 0.00000000 1.0 H H9 1 0.79008344 0.31245251 0.74836457 1.0 H H10 1 0.68754749 0.47762793 0.74836457 1.0 H H11 1 0.52237207 0.20991656 0.74836457 1.0 H H12 1 0.20991656 0.52237207 0.25163543 1.0 H H13 1 0.52237207 0.20991656 0.25163543 1.0 H H14 1 0.79008344 0.31245251 0.25163543 1.0 H H15 1 0.68754749 0.47762793 0.25163543 1.0 H H16 1 0.31245251 0.79008344 0.74836457 1.0 H H17 1 0.47762793 0.68754749 0.74836457 1.0 H H18 1 0.30074180 1.00000000 0.00000000 1.0 H H19 1 0.69925820 0.69925820 0.00000000 1.0 H H20 1 1.00000000 0.30074180 0.00000000 1.0 H H21 1 0.84102843 1.00000000 0.24080875 1.0 H H22 1 0.15897157 0.15897157 0.75919125 1.0 H H23 1 1.00000000 0.84102843 0.75919125 1.0 H H24 1 1.00000000 0.84102843 0.24080875 1.0 H H25 1 0.15897157 0.15897157 0.24080875 1.0 H H26 1 0.84102843 1.00000000 0.75919125 1.0 H H27 1 0.13030735 0.64442998 0.50000000 1.0 H H28 1 0.51412263 0.86969265 0.50000000 1.0 H H29 1 0.35557002 0.48587737 0.50000000 1.0 H H30 1 0.48587737 0.35557002 0.50000000 1.0 H H31 1 0.86969265 0.51412263 0.50000000 1.0 H H32 1 0.64442998 0.13030735 0.50000000 1.0 H H33 1 0.20991656 0.52237207 0.74836457 1.0 H H34 1 0.31245251 0.79008344 0.25163543 1.0 H H35 1 0.47762793 0.68754749 0.25163543 1.0