# CIF generated by HEAS from Alexandria entry agm006197801 data_agm006197801 _cell_length_a 4.18406 _cell_length_b 7.57562 _cell_length_c 4.16938 _cell_angle_alpha 80.94707 _cell_angle_beta 107.59591 _cell_angle_gamma 48.84547 _cell_volume 82.33703 _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 H1 H 0.49999 0.50000 0.50001 1.00000 H2 H 0.69374 0.81988 0.95574 1.00000 H3 H 0.66897 0.24516 0.31073 1.00000 H4 H 0.33103 0.75484 0.68927 1.00000 H5 H 0.78090 0.72328 0.55304 1.00000 H6 H 0.21910 0.27672 0.44696 1.00000 H7 H 0.30626 0.18012 0.04426 1.00000 Ca1 Ca 0.00000 0.00000 0.00000 1.00000 B1 B 0.74524 0.66985 0.82516 1.00000 B2 B 0.25476 0.33015 0.17484 1.00000