data_global _chemical_name_mineral 'Colusite' loop_ _publ_author_name 'Frank-Kamenetskaya O V' 'Rozhdestvenskaya I V' 'Yanulova L A' _journal_name_full 'Journal of Structural Chemistry' _journal_volume 43 _journal_year 2002 _journal_page_first 89 _journal_page_last 100 _publ_section_title ; New data on the crystal structures of colusites and arsenosulvanites Sample: 1 ; _database_code_amcsd 0014060 _chemical_compound_source 'Pai-Khoi, Arkhangelsk region' _chemical_formula_sum 'Cu12.55 V1.11 As2.79 S16' _cell_length_a 10.527 _cell_length_b 10.527 _cell_length_c 10.527 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 1166.578 _exptl_crystal_density_diffrn 4.487 _symmetry_space_group_name_H-M 'P -4 3 n' loop_ _space_group_symop_operation_xyz 'x,y,z' '-z,x,-y' '-y,z,-x' '-x,y,-z' '1/2+x,1/2-z,1/2-y' '1/2+z,1/2-y,1/2-x' '1/2+y,1/2-x,1/2-z' '1/2+x,1/2+z,1/2+y' '1/2+z,1/2+y,1/2+x' '1/2+y,1/2+x,1/2+z' '-z,-x,y' '-y,-z,x' '-x,-y,z' 'z,-x,-y' 'y,-z,-x' 'x,-y,-z' '1/2-x,1/2+z,1/2-y' '1/2-z,1/2+y,1/2-x' '1/2-y,1/2+x,1/2-z' '1/2-x,1/2-z,1/2+y' '1/2-z,1/2-y,1/2+x' '1/2-y,1/2-x,1/2+z' 'z,x,y' 'y,z,x' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy _atom_site_U_iso_or_equiv CuT*1 0.00000 0.00000 0.00000 0.90000 0.00900 CuT2 0.25000 0.00000 0.50000 0.91000 0.01310 CuT3 0.26030 0.00000 0.00000 1.00000 0.01060 CuT4 0.25770 0.25770 0.25770 0.73000 0.00610 VT1 0.25000 0.50000 0.00000 0.07000 0.00700 VT*2 0.00000 0.00000 0.50000 0.30000 0.01600 AsT1 0.25000 0.50000 0.00000 0.93000 0.00700 S1 0.12510 0.12510 0.12510 1.00000 0.00790 S2 0.12130 0.36780 0.37950 1.00000 0.00890