# CIF generated by HEAS from Alexandria entry agm005291334 data_agm005291334 _cell_length_a 3.55766 _cell_length_b 3.34910 _cell_length_c 16.69840 _cell_angle_alpha 85.63039 _cell_angle_beta 90.00000 _cell_angle_gamma 90.00000 _cell_volume 198.38190 _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 0.50056 0.78850 0.38602 1.00000 Ca2 Ca 0.00056 0.21150 0.11398 1.00000 Ca3 Ca 0.49944 0.21150 0.61398 1.00000 Ca4 Ca 0.99944 0.78850 0.88602 1.00000 B1 B 0.00007 0.74934 0.50724 1.00000 B2 B 0.50007 0.25066 0.99276 1.00000 B3 B 0.99993 0.25066 0.49276 1.00000 B4 B 0.49993 0.74934 0.00724 1.00000 B5 B 0.49898 0.88751 0.75386 1.00000 B6 B 0.99898 0.11249 0.74614 1.00000 B7 B 0.50102 0.11249 0.24614 1.00000 B8 B 0.00102 0.88751 0.25386 1.00000 H1 H 0.49872 0.67111 0.69625 1.00000 H2 H 0.99872 0.32889 0.80375 1.00000 H3 H 0.50128 0.32889 0.30375 1.00000 H4 H 0.00128 0.67111 0.19625 1.00000 H5 H 0.99910 0.35839 0.68679 1.00000 H6 H 0.49910 0.64161 0.81321 1.00000 H7 H 0.00090 0.64161 0.31321 1.00000 H8 H 0.50090 0.35839 0.18679 1.00000