data_global _amcsd_formula_title 'LaCa2GeS4Cl3' loop_ _publ_author_name 'Gitzendanner R' 'DiSalvo F' _journal_name_full 'Inorganic Chemistry' _journal_volume 35 _journal_year 1996 _journal_page_first 2623 _journal_page_last 2626 _publ_section_title ; Synthesis and structure of a new quinary sulfide halide: LaCa2GeS4Cl3 _cod_database_code 1005026 ; _database_code_amcsd 0012717 _chemical_formula_sum '(La.999 Ca2.001) Ge Cl3 S4' _cell_length_a 9.7311 _cell_length_b 9.7311 _cell_length_c 6.3366 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 519.650 _exptl_crystal_density_diffrn 3.363 _symmetry_space_group_name_H-M 'P 63 m c' loop_ _space_group_symop_operation_xyz 'x,y,z' '-x,-x+y,1/2+z' 'x-y,x,1/2+z' '-y,-x,z' '-y,x-y,z' 'x-y,-y,1/2+z' '-x,-y,1/2+z' 'x,x-y,z' '-x+y,-x,z' 'y,x,1/2+z' 'y,-x+y,1/2+z' '-x+y,y,z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy La1 0.81180 0.18820 0.07200 0.33300 Ca1 0.81180 0.18820 0.07200 0.66700 Ge1 0.33333 0.66667 0.00000 1.00000 Cl1 0.12220 0.87780 0.16700 1.00000 S1 0.33333 0.66667 0.35010 1.00000 S2 0.54590 0.45410 0.36080 1.00000