# CIF generated by HEAS from Alexandria entry agm003242528 data_agm003242528 _cell_length_a 10.41411 _cell_length_b 10.41411 _cell_length_c 6.60659 _cell_angle_alpha 90.00000 _cell_angle_beta 90.00000 _cell_angle_gamma 120.00000 _cell_volume 620.51510 _symmetry_space_group_name_H-M 'P 1' _symmetry_Int_Tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ta1 Ta 0.78379 0.52715 0.00000 1.00000 Ta2 Ta 0.74336 0.21621 0.00000 1.00000 Ta3 Ta 0.47285 0.25664 0.00000 1.00000 Ta4 Ta 0.25664 0.47285 0.00000 1.00000 Ta5 Ta 0.52715 0.78379 0.00000 1.00000 Ta6 Ta 0.21621 0.74336 0.00000 1.00000 Ta7 Ta 0.73519 0.19067 0.50000 1.00000 Ta8 Ta 0.80933 0.54452 0.50000 1.00000 Ta9 Ta 0.45548 0.26481 0.50000 1.00000 Ta10 Ta 0.26481 0.45548 0.50000 1.00000 Ta11 Ta 0.54452 0.80933 0.50000 1.00000 Ta12 Ta 0.19067 0.73519 0.50000 1.00000 Ta13 Ta 0.45935 1.00000 0.75402 1.00000 Ta14 Ta 0.54065 0.54065 0.24598 1.00000 Ta15 Ta 1.00000 0.45935 0.24598 1.00000 Ta16 Ta 1.00000 0.45935 0.75402 1.00000 Ta17 Ta 0.54065 0.54065 0.75402 1.00000 Ta18 Ta 0.45935 1.00000 0.24598 1.00000 Fe1 Fe 0.66667 0.33333 0.28301 1.00000 Fe2 Fe 0.66667 0.33333 0.71699 1.00000 Fe3 Fe 0.33333 0.66667 0.71699 1.00000 Fe4 Fe 0.33333 0.66667 0.28301 1.00000 S1 S 0.70191 0.00000 0.76603 1.00000 S2 S 0.29809 0.29809 0.23397 1.00000 S3 S 0.00000 0.70191 0.23397 1.00000 S4 S 0.00000 0.70191 0.76603 1.00000 S5 S 0.29809 0.29809 0.76603 1.00000 S6 S 0.70191 0.00000 0.23397 1.00000 S7 S 0.00000 0.27860 0.50000 1.00000 S8 S 0.72140 0.72140 0.50000 1.00000 S9 S 0.27860 0.00000 0.50000 1.00000 S10 S 0.00000 0.27616 0.00000 1.00000 S11 S 0.72384 0.72384 0.00000 1.00000 S12 S 0.27616 0.00000 0.00000 1.00000