data_global _amcsd_formula_title 'ThAs2' loop_ _publ_author_name 'Pearson W B' _journal_name_full 'Zeitschrift fur Kristallographie' _journal_volume 171 _journal_year 1985 _journal_page_first 23 _journal_page_last 39 _publ_section_title ; The Cu2Sb and related structures ; _database_code_amcsd 0010903 _chemical_formula_sum 'As2 Th' _cell_length_a 4.086 _cell_length_b 4.086 _cell_length_c 8.575 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 143.163 _exptl_crystal_density_diffrn 8.859 _symmetry_space_group_name_H-M 'P 4/n m m' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2-y,1/2-x,z' 'y,x,-z' 'y,-x,-z' '1/2-y,1/2+x,z' 'x,-y,z' '1/2-x,1/2+y,-z' '1/2+x,1/2+y,-z' '-x,-y,z' '1/2+y,1/2+x,z' '-y,-x,-z' '-y,x,-z' '1/2+y,1/2-x,z' '-x,y,z' '1/2+x,1/2-y,-z' '1/2-x,1/2-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z As1 0.00000 0.00000 0.00000 As2 0.50000 0.00000 0.64000 Th 0.50000 0.00000 0.28000