# generated using pymatgen data_ErCuAs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.85292562 _cell_length_b 3.85292562 _cell_length_c 9.82975338 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ErCuAs2 _chemical_formula_sum 'Er2 Cu2 As4' _cell_volume 145.92304116 _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 Er Er0 1 0.00000000 0.50000000 0.76400419 1.0 Er Er1 1 0.50000000 -0.00000000 0.23599581 1.0 Cu Cu2 1 0.50000000 0.50000000 0.50000000 1.0 Cu Cu3 1 -0.00000000 -0.00000000 0.50000000 1.0 As As4 1 -0.00000000 0.00000000 -0.00000000 1.0 As As5 1 0.50000000 0.50000000 -0.00000000 1.0 As As6 1 0.00000000 0.50000000 0.33940465 1.0 As As7 1 0.50000000 -0.00000000 0.66059535 1.0