# generated using pymatgen data_Zr6Ga2FeH10 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.06432448 _cell_length_b 8.06432448 _cell_length_c 7.16561000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000392 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr6Ga2FeH10 _chemical_formula_sum 'Zr12 Ga4 Fe2 H20' _cell_volume 403.57083135 _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 0.74041300 0.00000000 0.00000000 1.0 Zr Zr1 1 0.00000000 0.74041300 0.00000000 1.0 Zr Zr2 1 0.74041300 0.00000000 0.50000000 1.0 Zr Zr3 1 0.25958700 0.25958700 0.00000000 1.0 Zr Zr4 1 0.00000000 0.74041300 0.50000000 1.0 Zr Zr5 1 0.25958700 0.25958700 0.50000000 1.0 Zr Zr6 1 0.42586400 0.04727200 0.25000000 1.0 Zr Zr7 1 0.95272800 0.37859200 0.25000000 1.0 Zr Zr8 1 0.04727200 0.42586400 0.75000000 1.0 Zr Zr9 1 0.62140800 0.57413600 0.25000000 1.0 Zr Zr10 1 0.37859200 0.95272800 0.75000000 1.0 Zr Zr11 1 0.57413600 0.62140800 0.75000000 1.0 Ga Ga12 1 0.33333300 0.66666700 0.05048900 1.0 Ga Ga13 1 0.33333300 0.66666700 0.44951100 1.0 Ga Ga14 1 0.66666700 0.33333300 0.94951100 1.0 Ga Ga15 1 0.66666700 0.33333300 0.55048900 1.0 Fe Fe16 1 0.00000000 0.00000000 0.25000000 1.0 Fe Fe17 1 0.00000000 0.00000000 0.75000000 1.0 H H18 1 0.28191600 0.00000000 0.00000000 1.0 H H19 1 0.00000000 0.28191600 0.00000000 1.0 H H20 1 0.28191600 0.00000000 0.50000000 1.0 H H21 1 0.71808400 0.71808400 0.00000000 1.0 H H22 1 0.00000000 0.28191600 0.50000000 1.0 H H23 1 0.71808400 0.71808400 0.50000000 1.0 H H24 1 0.40809000 0.29109200 0.25000000 1.0 H H25 1 0.70890800 0.11699800 0.25000000 1.0 H H26 1 0.29109200 0.40809000 0.75000000 1.0 H H27 1 0.88300200 0.59191000 0.25000000 1.0 H H28 1 0.11699800 0.70890800 0.75000000 1.0 H H29 1 0.59191000 0.88300200 0.75000000 1.0 H H30 1 0.11821800 0.23873800 0.25000000 1.0 H H31 1 0.76126200 0.87948000 0.25000000 1.0 H H32 1 0.23873800 0.11821800 0.75000000 1.0 H H33 1 0.12052000 0.88178200 0.25000000 1.0 H H34 1 0.87948000 0.76126200 0.75000000 1.0 H H35 1 0.88178200 0.12052000 0.75000000 1.0 H H36 1 0.00000000 0.00000000 0.00000000 1.0 H H37 1 0.00000000 0.00000000 0.50000000 1.0