# CIF generated by HEAS from Alexandria entry agm005698541 data_agm005698541 _cell_length_a 3.81423 _cell_length_b 4.42798 _cell_length_c 6.23948 _cell_angle_alpha 108.62964 _cell_angle_beta 90.00000 _cell_angle_gamma 90.00000 _cell_volume 99.85912 _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 Pm1 Pm 0.25000 0.66658 0.30999 1.00000 Pm2 Pm 0.75000 0.33342 0.69001 1.00000 H1 H 0.75000 0.97579 0.07067 1.00000 H2 H 0.25000 0.02421 0.92933 1.00000 O1 O 0.75000 0.76285 0.54397 1.00000 O2 O 0.25000 0.23715 0.45603 1.00000 O3 O 0.75000 0.75180 0.06054 1.00000 O4 O 0.25000 0.24820 0.93946 1.00000