# CIF generated by HEAS from Alexandria entry agm004052829 data_agm004052829 _cell_length_a 3.58820 _cell_length_b 3.52841 _cell_length_c 4.44314 _cell_angle_alpha 89.89781 _cell_angle_beta 90.00000 _cell_angle_gamma 90.00000 _cell_volume 56.25290 _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 Sc1 Sc 0.50000 0.74993 0.73811 1.00000 P1 P 0.00000 0.25067 0.51212 1.00000 Be1 Be 0.00000 0.24811 0.00138 1.00000 Be2 Be 0.50000 0.25129 0.24840 1.00000