# generated using pymatgen data_LaNi3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.77852574 _cell_length_b 8.77852702 _cell_length_c 8.77852549 _cell_angle_alpha 33.11548556 _cell_angle_beta 33.11547760 _cell_angle_gamma 33.11548203 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaNi3 _chemical_formula_sum 'La3 Ni9' _cell_volume 179.72210115 _cell_formula_units_Z 3 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 La La0 1 0.86211004 0.86211004 0.86211004 1.0 La La1 1 0.13788996 0.13788996 0.13788996 1.0 La La2 1 0.00000000 -0.00000000 0.00000000 1.0 Ni Ni3 1 0.42069087 0.42069087 0.91731793 1.0 Ni Ni4 1 0.91731793 0.42069087 0.42069087 1.0 Ni Ni5 1 0.42069087 0.91731793 0.42069087 1.0 Ni Ni6 1 0.50000000 0.50000000 0.50000000 1.0 Ni Ni7 1 0.33211967 0.33211867 0.33211967 1.0 Ni Ni8 1 0.66788033 0.66788133 0.66788033 1.0 Ni Ni9 1 0.08268207 0.57930913 0.57930913 1.0 Ni Ni10 1 0.57930913 0.57930913 0.08268207 1.0 Ni Ni11 1 0.57930913 0.08268207 0.57930913 1.0