# CIF generated by HEAS from Alexandria entry agm007108261 data_agm007108261 _cell_length_a 4.50407 _cell_length_b 4.50407 _cell_length_c 4.70451 _cell_angle_alpha 90.00000 _cell_angle_beta 90.00000 _cell_angle_gamma 120.00000 _cell_volume 82.65224 _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 Na1 Na 0.66667 0.33333 0.00000 1.00000 Sc1 Sc 0.00000 0.00000 0.50000 1.00000 Ti1 Ti 0.33333 0.66667 0.00000 1.00000 H1 H 0.48395 0.96790 0.69962 1.00000 H2 H 0.03210 0.51605 0.30038 1.00000 H3 H 0.48395 0.51605 0.30038 1.00000 H4 H 0.48395 0.96790 0.30038 1.00000 H5 H 0.48395 0.51605 0.69962 1.00000 H6 H 0.03210 0.51605 0.69962 1.00000