# generated using pymatgen data_Er3Al2Ni6H7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.89668983 _cell_length_b 7.89668983 _cell_length_c 7.89668983 _cell_angle_alpha 109.47122063 _cell_angle_beta 109.47122063 _cell_angle_gamma 109.47122063 _symmetry_Int_Tables_number 1 _chemical_formula_structural Er3Al2Ni6H7 _chemical_formula_sum 'Er6 Al4 Ni12 H14' _cell_volume 379.06470540 _cell_formula_units_Z 2 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 Er Er0 1 0.71911500 0.71911500 0.00000000 1.0 Er Er1 1 0.28088500 0.00000000 0.28088500 1.0 Er Er2 1 0.00000000 0.28088500 0.28088500 1.0 Er Er3 1 0.28088500 0.28088500 0.00000000 1.0 Er Er4 1 0.71911500 0.00000000 0.71911500 1.0 Er Er5 1 0.00000000 0.71911500 0.71911500 1.0 Al Al6 1 0.00000000 0.00000000 0.50000000 1.0 Al Al7 1 0.00000000 0.50000000 0.00000000 1.0 Al Al8 1 0.50000000 0.00000000 0.00000000 1.0 Al Al9 1 0.50000000 0.50000000 0.50000000 1.0 Ni Ni10 1 0.33198300 0.33198300 0.66396700 1.0 Ni Ni11 1 0.66801700 0.00000000 0.33198300 1.0 Ni Ni12 1 0.00000000 0.66801700 0.33198300 1.0 Ni Ni13 1 0.66801700 0.33198300 0.00000000 1.0 Ni Ni14 1 0.33198300 0.66396700 0.33198300 1.0 Ni Ni15 1 0.00000000 0.33198300 0.66801700 1.0 Ni Ni16 1 0.33198300 0.66801700 0.00000000 1.0 Ni Ni17 1 0.33198300 0.00000000 0.66801700 1.0 Ni Ni18 1 0.66396700 0.33198300 0.33198300 1.0 Ni Ni19 1 0.66801700 0.66801700 0.33603300 1.0 Ni Ni20 1 0.66801700 0.33603300 0.66801700 1.0 Ni Ni21 1 0.33603300 0.66801700 0.66801700 1.0 H H22 1 0.00000000 0.00000000 0.75350100 1.0 H H23 1 0.00000000 0.75350100 0.00000000 1.0 H H24 1 0.75350100 0.00000000 0.00000000 1.0 H H25 1 0.24649900 0.24649900 0.24649900 1.0 H H26 1 0.00000000 0.00000000 0.24649900 1.0 H H27 1 0.00000000 0.24649900 0.00000000 1.0 H H28 1 0.24649900 0.00000000 0.00000000 1.0 H H29 1 0.75350100 0.75350100 0.75350100 1.0 H H30 1 0.50000000 0.75000000 0.25000000 1.0 H H31 1 0.25000000 0.75000000 0.50000000 1.0 H H32 1 0.25000000 0.50000000 0.75000000 1.0 H H33 1 0.50000000 0.25000000 0.75000000 1.0 H H34 1 0.75000000 0.50000000 0.25000000 1.0 H H35 1 0.75000000 0.25000000 0.50000000 1.0