# generated using pymatgen data_LaCuNiAs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.27807684 _cell_length_b 4.27807684 _cell_length_c 9.64105145 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaCuNiAs2 _chemical_formula_sum 'La2 Cu2 Ni2 As4' _cell_volume 176.44995913 _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 La La0 1 0.00000000 0.50000000 0.75466120 1.0 La La1 1 0.50000000 0.00000000 0.24533880 1.0 Cu Cu2 1 0.00000000 0.00000000 0.50000000 1.0 Cu Cu3 1 0.50000000 0.50000000 0.50000000 1.0 Ni Ni4 1 0.00000000 0.50000000 0.10943299 1.0 Ni Ni5 1 0.50000000 0.00000000 0.89056701 1.0 As As6 1 0.00000000 0.50000000 0.36025504 1.0 As As7 1 0.00000000 0.00000000 0.00000000 1.0 As As8 1 0.50000000 0.00000000 0.63974496 1.0 As As9 1 0.50000000 0.50000000 0.00000000 1.0