# CIF generated by HEAS from Alexandria entry agm002000402 data_agm002000402 _cell_length_a 3.40419 _cell_length_b 3.40419 _cell_length_c 4.28930 _cell_angle_alpha 66.62021 _cell_angle_beta 66.62021 _cell_angle_gamma 60.00000 _cell_volume 38.26221 _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 0.21397 0.21397 0.35810 1.00000 H2 H 0.78603 0.78603 0.64190 1.00000 Ca1 Ca 0.00000 0.00000 0.00000 1.00000 B1 B 0.50000 0.50000 0.50000 1.00000