# CIF generated by HEAS from Alexandria entry agm005237963 data_agm005237963 _cell_length_a 3.28024 _cell_length_b 4.13770 _cell_length_c 16.34863 _cell_angle_alpha 87.41478 _cell_angle_beta 90.00000 _cell_angle_gamma 90.00000 _cell_volume 221.66901 _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 Ca1 Ca 0.00000 0.11761 0.89582 1.00000 Ca2 Ca 0.50000 0.48114 0.60202 1.00000 Ca3 Ca 0.50000 0.98402 0.10688 1.00000 Ca4 Ca 0.00000 0.37888 0.37736 1.00000 B1 B 0.00000 0.76491 0.24657 1.00000 B2 B 0.50000 0.54671 0.23621 1.00000 B3 B 0.50000 0.14561 0.76175 1.00000 B4 B 0.00000 0.31673 0.73806 1.00000 B5 B 0.00000 0.47806 0.02899 1.00000 B6 B 0.50000 0.88748 0.46956 1.00000 B7 B 0.50000 0.57052 0.98346 1.00000 B8 B 0.00000 0.96731 0.51586 1.00000 H1 H 0.27826 0.49193 0.17013 1.00000 H2 H 0.72174 0.49193 0.17013 1.00000 H3 H 0.24343 0.10400 0.69506 1.00000 H4 H 0.75657 0.10400 0.69506 1.00000 H5 H 0.00000 0.88497 0.31501 1.00000 H6 H 0.50000 0.00392 0.39780 1.00000 H7 H 0.50000 0.49688 0.90705 1.00000 H8 H 0.00000 0.87275 0.59003 1.00000 H9 H 0.00000 0.17543 0.03864 1.00000 H10 H 0.50000 0.58782 0.45399 1.00000 H11 H 0.50000 0.87705 0.97012 1.00000 H12 H 0.00000 0.27088 0.52532 1.00000 H13 H 0.50000 0.87954 0.79741 1.00000 H14 H 0.00000 0.59765 0.71138 1.00000 H15 H 0.00000 0.01038 0.20153 1.00000 H16 H 0.50000 0.28160 0.27368 1.00000