# generated using pymatgen data_TbAgAs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.95434384 _cell_length_b 3.95434384 _cell_length_c 10.52635841 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TbAgAs2 _chemical_formula_sum 'Tb2 Ag2 As4' _cell_volume 164.59893177 _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 Tb Tb0 1 0.00000000 0.50000000 0.22463348 1.0 Tb Tb1 1 0.50000000 -0.00000000 0.77536652 1.0 Ag Ag2 1 -0.00000000 0.00000000 0.50000000 1.0 Ag Ag3 1 0.50000000 0.50000000 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 0.68419555 1.0 As As7 1 0.50000000 -0.00000000 0.31580445 1.0