# generated using pymatgen data_Zr(Ni2As)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.72560442 _cell_length_b 7.02784122 _cell_length_c 7.02785485 _cell_angle_alpha 89.99773404 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr(Ni2As)2 _chemical_formula_sum 'Zr2 Ni8 As4' _cell_volume 184.01001643 _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 0.00000000 0.50000000 0.50000000 1.0 Zr Zr1 1 0.50000000 -0.00000000 0.00000000 1.0 Ni Ni2 1 0.50000000 0.15500030 0.59043985 1.0 Ni Ni3 1 0.50000000 0.84499970 0.40956015 1.0 Ni Ni4 1 0.00000000 0.34490081 0.09038513 1.0 Ni Ni5 1 0.00000000 0.65509919 0.90961487 1.0 Ni Ni6 1 0.50000000 0.59039840 0.15497907 1.0 Ni Ni7 1 0.50000000 0.40960160 0.84502093 1.0 Ni Ni8 1 0.00000000 0.09041586 0.34487823 1.0 Ni Ni9 1 0.00000000 0.90958414 0.65512177 1.0 As As10 1 0.50000000 0.71698956 0.71703393 1.0 As As11 1 0.50000000 0.28301044 0.28296607 1.0 As As12 1 0.00000000 0.78297374 0.21697119 1.0 As As13 1 -0.00000000 0.21702626 0.78302881 1.0