# CIF generated by HEAS from Alexandria entry agm004580452 data_agm004580452 _cell_length_a 6.85347 _cell_length_b 6.85347 _cell_length_c 7.87045 _cell_angle_alpha 98.70912 _cell_angle_beta 98.70912 _cell_angle_gamma 119.06002 _cell_volume 308.39498 _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 K1 K 0.82920 0.17080 0.00000 1.00000 K2 K 0.17080 0.82920 0.00000 1.00000 Nd1 Nd 0.33346 0.66654 0.50000 1.00000 Nd2 Nd 0.66654 0.33346 0.50000 1.00000 Ti1 Ti 0.00000 0.00000 0.50000 1.00000 S1 S 0.77351 0.77351 0.69120 1.00000 S2 S 0.06572 0.36504 0.69408 1.00000 S3 S 0.22649 0.22649 0.30880 1.00000 S4 S 0.36504 0.06572 0.69408 1.00000 S5 S 0.93428 0.63496 0.30592 1.00000 S6 S 0.63496 0.93428 0.30592 1.00000