# generated using pymatgen data_Zr2CuH5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.73691390 _cell_length_b 5.73691390 _cell_length_c 8.28658939 _cell_angle_alpha 58.67679848 _cell_angle_beta 58.67679848 _cell_angle_gamma 37.09708220 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr2CuH5 _chemical_formula_sum 'Zr4 Cu2 H10' _cell_volume 137.56441823 _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 Zr Zr0 1 0.91930500 0.91930500 0.84355700 1.0 Zr Zr1 1 0.08069500 0.08069500 0.15644300 1.0 Zr Zr2 1 0.32613200 0.32613200 0.57402500 1.0 Zr Zr3 1 0.67386800 0.67386800 0.42597500 1.0 Cu Cu4 1 0.62284500 0.62284500 0.84905600 1.0 Cu Cu5 1 0.37715500 0.37715500 0.15094400 1.0 H H6 1 0.86462500 0.86462500 0.42354100 1.0 H H7 1 0.13537500 0.13537500 0.57645900 1.0 H H8 1 0.53446000 0.53446000 0.32806000 1.0 H H9 1 0.46554000 0.46554000 0.67194000 1.0 H H10 1 0.68434900 0.68434900 0.01949600 1.0 H H11 1 0.31565100 0.31565100 0.98050400 1.0 H H12 1 0.81561700 0.81561700 0.70287600 1.0 H H13 1 0.18438300 0.18438300 0.29712400 1.0 H H14 1 0.11810100 0.11810100 0.85983800 1.0 H H15 1 0.88189900 0.88189900 0.14016200 1.0