# generated using pymatgen data_Na2Ca2(NiH4)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.02802528 _cell_length_b 5.97700590 _cell_length_c 5.97700577 _cell_angle_alpha 108.75933813 _cell_angle_beta 109.65356672 _cell_angle_gamma 109.65356211 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na2Ca2(NiH4)3 _chemical_formula_sum 'Na2 Ca2 Ni3 H12' _cell_volume 166.47197864 _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 Na Na0 1 0.00000000 0.00000000 0.50000000 1.0 Na Na1 1 0.00000000 0.50000000 0.00000000 1.0 Ca Ca2 1 0.50000000 0.00000000 0.00000000 1.0 Ca Ca3 1 0.50000000 0.50000000 0.50000000 1.0 Ni Ni4 1 0.00000000 0.50000000 0.50000000 1.0 Ni Ni5 1 0.50000000 0.50000000 0.00000000 1.0 Ni Ni6 1 0.50000000 0.00000000 0.50000000 1.0 H H7 1 0.71396975 0.72256513 0.99140562 1.0 H H8 1 0.28603025 0.00859438 0.27743487 1.0 H H9 1 1.00000000 0.27870618 0.27870618 1.0 H H10 1 0.28603025 0.27743487 0.00859438 1.0 H H11 1 0.71396975 0.99140562 0.72256513 1.0 H H12 1 0.00000000 0.72129382 0.72129382 1.0 H H13 1 0.74957932 0.25049552 0.49908380 1.0 H H14 1 0.74957932 0.49908380 0.25049552 1.0 H H15 1 0.50000000 0.25000000 0.75000000 1.0 H H16 1 0.25042068 0.50091620 0.74950448 1.0 H H17 1 0.25042068 0.74950448 0.50091620 1.0 H H18 1 0.50000000 0.75000000 0.25000000 1.0