# generated using pymatgen data_MgZr(PaH4)6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.49580253 _cell_length_b 6.49580253 _cell_length_c 6.49580253 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgZr(PaH4)6 _chemical_formula_sum 'Mg1 Zr1 Pa6 H24' _cell_volume 274.09331363 _cell_formula_units_Z 1 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 Mg Mg0 1 0.50000000 0.50000000 0.50000000 1.0 Zr Zr1 1 0.00000000 0.00000000 0.00000000 1.0 Pa Pa2 1 0.25199621 0.00000000 0.50000000 1.0 Pa Pa3 1 0.74800379 0.00000000 0.50000000 1.0 Pa Pa4 1 0.00000000 0.50000000 0.25199621 1.0 Pa Pa5 1 0.00000000 0.50000000 0.74800379 1.0 Pa Pa6 1 0.50000000 0.74800379 0.00000000 1.0 Pa Pa7 1 0.50000000 0.25199621 0.00000000 1.0 H H8 1 0.00000000 0.15052949 0.29304130 1.0 H H9 1 0.50000000 0.19577849 0.65442010 1.0 H H10 1 0.50000000 0.80422151 0.34557990 1.0 H H11 1 0.80422151 0.65442010 0.50000000 1.0 H H12 1 0.19577849 0.65442010 0.50000000 1.0 H H13 1 0.34557990 0.50000000 0.80422151 1.0 H H14 1 0.65442010 0.50000000 0.80422151 1.0 H H15 1 0.29304130 0.00000000 0.15052949 1.0 H H16 1 0.15052949 0.29304130 0.00000000 1.0 H H17 1 0.84947051 0.70695870 0.00000000 1.0 H H18 1 0.29304130 0.00000000 0.84947051 1.0 H H19 1 0.84947051 0.29304130 0.00000000 1.0 H H20 1 0.70695870 0.00000000 0.15052949 1.0 H H21 1 0.70695870 0.00000000 0.84947051 1.0 H H22 1 0.15052949 0.70695870 0.00000000 1.0 H H23 1 0.00000000 0.84947051 0.70695870 1.0 H H24 1 0.00000000 0.15052949 0.70695870 1.0 H H25 1 0.00000000 0.84947051 0.29304130 1.0 H H26 1 0.65442010 0.50000000 0.19577849 1.0 H H27 1 0.34557990 0.50000000 0.19577849 1.0 H H28 1 0.80422151 0.34557990 0.50000000 1.0 H H29 1 0.19577849 0.34557990 0.50000000 1.0 H H30 1 0.50000000 0.80422151 0.65442010 1.0 H H31 1 0.50000000 0.19577849 0.34557990 1.0