data_global _amcsd_formula_title 'Cr Cu P2 Se6' loop_ _publ_author_name 'Bourdon X' 'Maisonneuve V' 'Cajipe V' 'Payen C' 'Fischer J' _journal_name_full 'Journal of Alloys and Compounds' _journal_volume 283 _journal_year 1999 _journal_page_first 122 _journal_page_last 127 _publ_section_title ; Copper sublattice ordering in layered Cu M P2 Se6 (M = In, Cr) _cod_database_code 1004008 ; _database_code_amcsd 0012821 _chemical_formula_sum 'Cu Cr P2 Se6' _cell_length_a 6.221 _cell_length_b 10.7702 _cell_length_c 6.935 _cell_angle_alpha 90 _cell_angle_beta 107.09 _cell_angle_gamma 90 _cell_volume 444.138 _exptl_crystal_density_diffrn 4.870 _symmetry_space_group_name_H-M 'C 1 2 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,z' '-x,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 _atom_site_occupancy _atom_site_U_iso_or_equiv Cu1 0.01500 0.66300 0.05300 0.50000 0.06079 Cr1 0.00000 0.33000 0.00000 1.00000 0.00380 P1 0.05700 0.00000 0.16800 1.00000 0.01646 Se1 0.74700 0.67400 0.25300 1.00000 0.02026 Se2 0.26000 0.83000 0.24900 1.00000 0.02026 Se3 0.75700 0.48900 0.74700 1.00000 0.02026