data_global _chemical_name_mineral 'Lorandite' loop_ _publ_author_name 'Fleet M E' _journal_name_full 'Zeitschrift fur Kristallographie' _journal_volume 138 _journal_year 1973 _journal_page_first 147 _journal_page_last 160 _publ_section_title ; The crystal structure and bonding of lorandite, Tl2As2S4 ; _database_code_amcsd 0010746 _chemical_formula_sum 'Tl As S2' _cell_length_a 12.28 _cell_length_b 11.30 _cell_length_c 6.10 _cell_angle_alpha 90 _cell_angle_beta 104.5 _cell_angle_gamma 90 _cell_volume 819.499 _exptl_crystal_density_diffrn 5.567 _symmetry_space_group_name_H-M 'P 1 21/a 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2-y,z' '1/2-x,1/2+y,-z' '-x,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv Tl1 0.05190 0.31210 0.16190 ? Tl2 0.10090 0.05600 0.73570 ? As1 0.19600 0.83530 0.22660 ? As2 0.13610 0.58650 0.53200 ? S1 0.13100 0.31600 0.72100 0.04179 S2 0.14700 0.55300 0.18300 0.02026 S3 0.17400 0.78600 0.57700 0.02786 S4 0.18300 0.03800 0.27200 0.02153 loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 Tl1 0.03287 0.02659 0.01645 0.00000 0.04304 0.00000 Tl2 0.03795 0.02659 0.01645 0.00000 0.05190 0.00000 As1 0.03416 0.01895 0.00885 0.00000 0.02276 0.00000 As2 0.04175 0.01643 0.01645 0.00000 0.09117 0.00000