# CIF generated by HEAS from Alexandria entry agm005113405 data_agm005113405 _cell_length_a 4.00821 _cell_length_b 4.00821 _cell_length_c 7.14161 _cell_angle_alpha 73.70258 _cell_angle_beta 73.70258 _cell_angle_gamma 60.00000 _cell_volume 94.00244 _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 Ba1 Ba 0.47039 0.47039 0.58884 1.00000 Pr1 Pr 0.65456 0.65456 0.03633 1.00000 H1 H 0.04470 0.04470 0.86591 1.00000 H2 H 0.33036 0.33036 0.00893 1.00000