data_global _amcsd_formula_title 'Cu3PSe4' loop_ _publ_author_name 'Garin J' 'Parthe E' _journal_name_full 'Acta Crystallographica, Section B' _journal_volume 28 _journal_year 1972 _journal_page_first 3672 _journal_page_last 3674 _publ_section_title ; The crystal structure of Cu3PSe4 and other ternary normal tetrahedral structure compounds with composition 1_356_4 ; _database_code_amcsd 0009469 _chemical_compound_source 'Synthetic' _chemical_formula_sum 'Cu3 P Se4' _cell_length_a 7.697 _cell_length_b 6.661 _cell_length_c 6.381 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 327.152 _exptl_crystal_density_diffrn 5.456 _symmetry_space_group_name_H-M 'P m n 21' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,-y,1/2+z' '-x,y,z' '1/2-x,-y,1/2+z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv Cu1 0.00000 0.16700 0.50000 0.01748 Cu2 0.24900 0.33100 0.00000 0.01672 P 0.00000 0.83400 0.00000 0.03268 Se1 0.00000 0.83200 0.37400 0.01976 Se2 0.00000 0.16700 0.87400 0.01849 Se3 0.24900 0.33200 0.37600 0.01849