# generated using pymatgen data_Zr2NiAs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.90834934 _cell_length_b 3.90834970 _cell_length_c 13.23469965 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00001391 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr2NiAs2 _chemical_formula_sum 'Zr4 Ni2 As4' _cell_volume 175.07794926 _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 Zr Zr0 1 0.66666700 0.33333300 0.38778090 1.0 Zr Zr1 1 0.33333300 0.66666700 0.88778090 1.0 Zr Zr2 1 0.33333300 0.66666700 0.61221910 1.0 Zr Zr3 1 0.66666700 0.33333300 0.11221910 1.0 Ni Ni4 1 -0.00000000 -0.00000000 0.75000000 1.0 Ni Ni5 1 -0.00000000 -0.00000000 0.25000000 1.0 As As6 1 0.33333300 0.66666700 0.25000000 1.0 As As7 1 -0.00000000 -0.00000000 -0.00000000 1.0 As As8 1 -0.00000000 -0.00000000 0.50000000 1.0 As As9 1 0.66666700 0.33333300 0.75000000 1.0