# generated using pymatgen data_SrNdNiH6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.28746462 _cell_length_b 7.28746497 _cell_length_c 5.21587216 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 138.06184165 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrNdNiH6 _chemical_formula_sum 'Sr2 Nd2 Ni2 H12' _cell_volume 185.12693280 _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 Sr Sr0 1 0.85963753 0.14036247 0.50000000 1.0 Sr Sr1 1 0.35963753 0.64036247 0.00000000 1.0 Nd Nd2 1 0.13684801 0.86315199 0.50000000 1.0 Nd Nd3 1 0.63684801 0.36315199 0.00000000 1.0 Ni Ni4 1 0.50576853 0.49423147 0.50000000 1.0 Ni Ni5 1 0.00576853 0.99423147 0.00000000 1.0 H H6 1 0.98852752 0.51147880 0.75000482 1.0 H H7 1 0.48852120 0.01147248 0.24999518 1.0 H H8 1 0.98852120 0.51147248 0.25000482 1.0 H H9 1 0.48852752 0.01147880 0.74999518 1.0 H H10 1 0.38757140 0.61242860 0.50000000 1.0 H H11 1 0.88757140 0.11242860 0.00000000 1.0 H H12 1 0.62019670 0.37980330 0.50000000 1.0 H H13 1 0.12019670 0.87980330 0.00000000 1.0 H H14 1 0.25648231 0.24355521 0.74999005 1.0 H H15 1 0.75644479 0.74351769 0.25000995 1.0 H H16 1 0.25644479 0.24351769 0.24999005 1.0 H H17 1 0.75648231 0.74355521 0.75000995 1.0