# generated using pymatgen data_LiZrNi12As7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.24947144 _cell_length_b 9.24947217 _cell_length_c 3.69413819 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999393 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiZrNi12As7 _chemical_formula_sum 'Li1 Zr1 Ni12 As7' _cell_volume 273.70180515 _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 Li Li0 1 0.00000000 0.00000000 0.50000000 1.0 Zr Zr1 1 0.66666700 0.33333300 0.00000000 1.0 Ni Ni2 1 0.49348786 0.94785749 0.00000000 1.0 Ni Ni3 1 0.05214251 0.54563137 0.00000000 1.0 Ni Ni4 1 0.45436863 0.50651214 0.00000000 1.0 Ni Ni5 1 0.71378934 0.09260423 0.50000000 1.0 Ni Ni6 1 0.90739577 0.62118611 0.50000000 1.0 Ni Ni7 1 0.37881389 0.28621066 0.50000000 1.0 Ni Ni8 1 0.76869493 0.71803404 0.00000000 1.0 Ni Ni9 1 0.28196596 0.05065989 0.00000000 1.0 Ni Ni10 1 0.94934011 0.23130507 0.00000000 1.0 Ni Ni11 1 0.54435185 0.75669694 0.50000000 1.0 Ni Ni12 1 0.24330306 0.78765390 0.50000000 1.0 Ni Ni13 1 0.21234610 0.45564815 0.50000000 1.0 As As14 1 0.33333300 0.66666700 0.00000000 1.0 As As15 1 0.45258774 0.08063002 0.50000000 1.0 As As16 1 0.91936998 0.37195773 0.50000000 1.0 As As17 1 0.62804227 0.54741226 0.50000000 1.0 As As18 1 0.74963052 0.95386638 0.00000000 1.0 As As19 1 0.04613362 0.79576414 0.00000000 1.0 As As20 1 0.20423586 0.25036948 0.00000000 1.0