# generated using pymatgen data_ErNiAs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.01062313 _cell_length_b 4.01062313 _cell_length_c 15.11551989 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999891 _symmetry_Int_Tables_number 1 _chemical_formula_structural ErNiAs _chemical_formula_sum 'Er4 Ni4 As4' _cell_volume 210.56075768 _cell_formula_units_Z 4 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 Er Er0 1 0.00000000 -0.00000000 0.24998330 1.0 Er Er1 1 0.00000000 -0.00000000 0.74999766 1.0 Er Er2 1 0.00000000 -0.00000000 0.00002400 1.0 Er Er3 1 0.00000000 -0.00000000 0.49999578 1.0 Ni Ni4 1 0.33333300 0.66666700 0.13560100 1.0 Ni Ni5 1 0.66666700 0.33333300 0.86442709 1.0 Ni Ni6 1 0.66666700 0.33333300 0.63557684 1.0 Ni Ni7 1 0.33333300 0.66666700 0.36438571 1.0 As As8 1 0.33333300 0.66666700 0.62022400 1.0 As As9 1 0.66666700 0.33333300 0.37973115 1.0 As As10 1 0.66666700 0.33333300 0.12024620 1.0 As As11 1 0.33333300 0.66666700 0.87980827 1.0