# CIF generated by HEAS from Alexandria entry agm072829007 data_agm072829007 _cell_length_a 4.72793 _cell_length_b 4.72793 _cell_length_c 5.38687 _cell_angle_alpha 90.00000 _cell_angle_beta 90.00000 _cell_angle_gamma 120.00000 _cell_volume 104.28181 _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 Ti1 Ti 0.00000 0.00000 0.50000 1.00000 Ti2 Ti 0.66667 0.33333 0.76600 1.00000 Ti3 Ti 0.33333 0.66667 0.23400 1.00000 Ti4 Ti 0.33333 0.66667 0.76600 1.00000 Ti5 Ti 0.66667 0.33333 0.23400 1.00000 Mo1 Mo 0.00000 0.00000 0.00000 1.00000 H1 H 0.50000 0.50000 0.50000 1.00000 H2 H 0.50000 0.00000 0.50000 1.00000 H3 H 0.00000 0.50000 0.50000 1.00000