# generated using pymatgen data_Li2Zr(NiAs)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.19057918 _cell_length_b 6.10340995 _cell_length_c 3.88459284 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.53529175 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2Zr(NiAs)3 _chemical_formula_sum 'Li2 Zr1 Ni3 As3' _cell_volume 127.70110296 _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 0.43285992 0.42904797 0.50000000 1.0 Li Li1 1 0.56714008 0.99618805 0.50000000 1.0 Zr Zr2 1 0.00000000 0.57068453 0.50000000 1.0 Ni Ni3 1 0.76766329 0.75988850 0.00000000 1.0 Ni Ni4 1 1.00000000 0.23935471 0.00000000 1.0 Ni Ni5 1 0.23233671 0.99222520 0.00000000 1.0 As As6 1 0.65247128 0.32456698 0.00000000 1.0 As As7 1 0.34752872 0.67209670 0.00000000 1.0 As As8 1 1.00000000 0.01594935 0.50000000 1.0