# CIF generated by HEAS from Alexandria entry agm017113405 data_agm017113405 _cell_length_a 12.32275 _cell_length_b 12.32275 _cell_length_c 3.72473 _cell_angle_alpha 90.00000 _cell_angle_beta 90.00000 _cell_angle_gamma 120.00000 _cell_volume 489.82458 _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 Er1 Er 0.82412 0.82412 0.00000 1.00000 Er2 Er 0.00000 0.17588 0.00000 1.00000 Er3 Er 0.17588 0.00000 0.00000 1.00000 Er4 Er 0.33333 0.66667 0.50000 1.00000 Er5 Er 0.66667 0.33333 0.50000 1.00000 Sc1 Sc 0.44342 0.44342 0.50000 1.00000 Sc2 Sc 0.00000 0.55658 0.50000 1.00000 Sc3 Sc 0.55658 0.00000 0.50000 1.00000 Fe1 Fe 0.28051 0.28051 0.00000 1.00000 Fe2 Fe 0.00000 0.71949 0.00000 1.00000 Fe3 Fe 0.71949 0.00000 0.00000 1.00000 Fe4 Fe 0.62084 0.81768 0.50000 1.00000 Fe5 Fe 0.19684 0.37916 0.50000 1.00000 Fe6 Fe 0.18232 0.80316 0.50000 1.00000 Fe7 Fe 0.37916 0.19684 0.50000 1.00000 Fe8 Fe 0.80316 0.18232 0.50000 1.00000 Fe9 Fe 0.81768 0.62084 0.50000 1.00000 Fe10 Fe 0.52947 0.64845 0.00000 1.00000 Fe11 Fe 0.11899 0.47053 0.00000 1.00000 Fe12 Fe 0.35155 0.88101 0.00000 1.00000 Fe13 Fe 0.47053 0.11899 0.00000 1.00000 Fe14 Fe 0.88101 0.35155 0.00000 1.00000 Fe15 Fe 0.64845 0.52947 0.00000 1.00000 Fe16 Fe 0.00000 0.00000 0.50000 1.00000 P1 P 0.18414 0.18414 0.50000 1.00000 P2 P 0.00000 0.81586 0.50000 1.00000 P3 P 0.81586 0.00000 0.50000 1.00000 P4 P 0.52194 0.83105 0.00000 1.00000 P5 P 0.30911 0.47806 0.00000 1.00000 P6 P 0.16895 0.69089 0.00000 1.00000 P7 P 0.47806 0.30911 0.00000 1.00000 P8 P 0.69089 0.16895 0.00000 1.00000 P9 P 0.83105 0.52194 0.00000 1.00000 P10 P 0.65293 0.65293 0.50000 1.00000 P11 P 0.00000 0.34707 0.50000 1.00000 P12 P 0.34707 0.00000 0.50000 1.00000