# CIF generated by HEAS from Alexandria entry agm002000397 data_agm002000397 _cell_length_a 3.34440 _cell_length_b 3.34440 _cell_length_c 3.64938 _cell_angle_alpha 62.72804 _cell_angle_beta 62.72804 _cell_angle_gamma 60.00000 _cell_volume 29.99634 _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 0.00000 0.00000 0.00000 1.00000 H1 H 0.22636 0.22636 0.32092 1.00000 H2 H 0.77364 0.77364 0.67908 1.00000 B1 B 0.50000 0.50000 0.50000 1.00000