data_ _cell_length_a 10.28 _cell_length_b 10.28 _cell_length_c 10.28 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 1086.374 _cell_formula_units_Z 2 _symmetry_space_group_name_H-M 'P 41 3 2' _symmetry_Int_Tables_number 213 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x,y,z' 2 '1/2-x,-y,1/2+z' 3 '1/2+x,1/2-y,-z' 4 '-x,1/2+y,1/2-z' 5 'z,x,y' 6 'y,z,x' 7 '1/2-z,-x,1/2+y' 8 '-y,1/2+z,1/2-x' 9 '1/2+z,1/2-x,-y' 10 '1/2-y,-z,1/2+x' 11 '-z,1/2+x,1/2-y' 12 '1/2+y,1/2-z,-x' 13 '3/4-y,3/4-x,3/4-z' 14 '3/4+y,1/4+x,1/4-z' 15 '1/4+y,1/4-x,3/4+z' 16 '1/4-y,3/4+x,1/4+z' 17 '3/4-x,3/4-z,3/4-y' 18 '3/4-z,3/4-y,3/4-x' 19 '3/4+x,1/4+z,1/4-y' 20 '1/4-z,3/4+y,1/4+x' 21 '1/4+x,1/4-z,3/4+y' 22 '3/4+z,1/4+y,1/4-x' 23 '1/4-x,3/4+z,1/4+y' 24 '1/4+z,1/4-y,3/4+x' loop_ _atom_type_symbol _atom_type_oxidation_number Al1 +3 Al2 +3 Ca1 +2 Te1 -2 Te2 -2 loop_ _atom_site_label _atom_site_type_symbol _atom_site_symmetry_multiplicity _atom_site_Wyckoff_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Al1 Al1 24 . 0.272 0.953 0.1205 0.25 Al2 Al2 24 . 0.7426 0.7134 0.4445 0.25 Ca1 Ca1 4 . 0.375 0.375 0.375 0.5 Te1 Te1 12 . 0.125 0.1989 0.4489 1.0 Te2 Te2 8 . 0.0521 0.0521 0.0521 1.0