# generated using pymatgen data_Zr6Fe(SnH5)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.19053579 _cell_length_b 8.19053579 _cell_length_c 7.33985000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999827 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr6Fe(SnH5)2 _chemical_formula_sum 'Zr12 Fe2 Sn4 H20' _cell_volume 426.42479391 _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 0.74576400 0.00000000 0.00000000 1.0 Zr Zr1 1 0.00000000 0.74576400 0.00000000 1.0 Zr Zr2 1 0.74576400 0.00000000 0.50000000 1.0 Zr Zr3 1 0.25423600 0.25423600 0.00000000 1.0 Zr Zr4 1 0.00000000 0.74576400 0.50000000 1.0 Zr Zr5 1 0.25423600 0.25423600 0.50000000 1.0 Zr Zr6 1 0.42101300 0.04663600 0.25000000 1.0 Zr Zr7 1 0.95336400 0.37437800 0.25000000 1.0 Zr Zr8 1 0.04663600 0.42101300 0.75000000 1.0 Zr Zr9 1 0.62562200 0.57898700 0.25000000 1.0 Zr Zr10 1 0.37437800 0.95336400 0.75000000 1.0 Zr Zr11 1 0.57898700 0.62562200 0.75000000 1.0 Fe Fe12 1 0.00000000 0.00000000 0.25000000 1.0 Fe Fe13 1 0.00000000 0.00000000 0.75000000 1.0 Sn Sn14 1 0.33333300 0.66666700 0.04292800 1.0 Sn Sn15 1 0.33333300 0.66666700 0.45707200 1.0 Sn Sn16 1 0.66666700 0.33333300 0.95707200 1.0 Sn Sn17 1 0.66666700 0.33333300 0.54292800 1.0 H H18 1 0.27915300 0.00000000 0.00000000 1.0 H H19 1 0.00000000 0.27915300 0.00000000 1.0 H H20 1 0.27915300 0.00000000 0.50000000 1.0 H H21 1 0.72084700 0.72084700 0.00000000 1.0 H H22 1 0.00000000 0.27915300 0.50000000 1.0 H H23 1 0.72084700 0.72084700 0.50000000 1.0 H H24 1 0.40347700 0.29158400 0.25000000 1.0 H H25 1 0.70841600 0.11189300 0.25000000 1.0 H H26 1 0.29158400 0.40347700 0.75000000 1.0 H H27 1 0.88810700 0.59652300 0.25000000 1.0 H H28 1 0.11189300 0.70841600 0.75000000 1.0 H H29 1 0.59652300 0.88810700 0.75000000 1.0 H H30 1 0.11837200 0.23703100 0.25000000 1.0 H H31 1 0.76296900 0.88134100 0.25000000 1.0 H H32 1 0.23703100 0.11837200 0.75000000 1.0 H H33 1 0.11865900 0.88162800 0.25000000 1.0 H H34 1 0.88134100 0.76296900 0.75000000 1.0 H H35 1 0.88162800 0.11865900 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