# CIF generated by HEAS from Alexandria entry agm006102400 data_agm006102400 _cell_length_a 3.86863 _cell_length_b 5.47418 _cell_length_c 10.25729 _cell_angle_alpha 105.47652 _cell_angle_beta 100.86989 _cell_angle_gamma 90.00001 _cell_volume 205.30105 _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 Zr1 Zr 0.39878 0.39878 0.79756 1.00000 Zr2 Zr 0.79950 0.79950 0.59899 1.00000 Zr3 Zr 0.20050 0.20050 0.40101 1.00000 Zr4 Zr 0.60122 0.60122 0.20244 1.00000 Sc1 Sc 0.00000 0.00000 0.00000 1.00000 As1 As 0.59877 0.09877 0.19753 1.00000 As2 As 0.79970 0.29970 0.59940 1.00000 As3 As 0.20030 0.70030 0.40060 1.00000 As4 As 0.00000 0.50000 0.00000 1.00000 As5 As 0.40123 0.90123 0.80247 1.00000