# generated using pymatgen data_AlNi3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.00904805 _cell_length_b 5.00905276 _cell_length_c 4.04025638 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99824497 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlNi3 _chemical_formula_sum 'Al2 Ni6' _cell_volume 87.79262614 _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 Al Al0 1 0.33333283 0.66666776 0.75000000 1.0 Al Al1 1 0.66666864 0.33333326 0.25000000 1.0 Ni Ni2 1 0.16428564 0.32852357 0.25000000 1.0 Ni Ni3 1 0.67147385 0.83571658 0.25000000 1.0 Ni Ni4 1 0.16425479 0.83575104 0.25000000 1.0 Ni Ni5 1 0.83571212 0.67147423 0.75000000 1.0 Ni Ni6 1 0.32853152 0.16428527 0.75000000 1.0 Ni Ni7 1 0.83574161 0.16424829 0.75000000 1.0