# CIF generated by HEAS from Alexandria entry agm005228097 data_agm005228097 _cell_length_a 3.14081 _cell_length_b 5.20726 _cell_length_c 13.43449 _cell_angle_alpha 90.00000 _cell_angle_beta 90.00000 _cell_angle_gamma 90.00000 _cell_volume 219.72116 _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 0.99599 0.25000 0.10263 1.00000 Ca2 Ca 0.00401 0.75000 0.89737 1.00000 Ca3 Ca 0.50401 0.25000 0.60263 1.00000 Ca4 Ca 0.49599 0.75000 0.39737 1.00000 B1 B 0.27123 0.25000 0.80706 1.00000 B2 B 0.22877 0.25000 0.30706 1.00000 B3 B 0.74004 0.25000 0.30700 1.00000 B4 B 0.25996 0.75000 0.69300 1.00000 B5 B 0.72877 0.75000 0.19294 1.00000 B6 B 0.24004 0.75000 0.19300 1.00000 B7 B 0.75996 0.25000 0.80700 1.00000 B8 B 0.77123 0.75000 0.69294 1.00000 H1 H 0.48351 0.75000 0.11077 1.00000 H2 H 0.51649 0.25000 0.88923 1.00000 H3 H 0.00000 0.50000 0.50000 1.00000 H4 H 0.98351 0.25000 0.38923 1.00000 H5 H 0.50000 0.00000 0.00000 1.00000 H6 H 0.01649 0.75000 0.61077 1.00000 H7 H 0.00000 0.00000 0.50000 1.00000 H8 H 0.50000 0.50000 0.00000 1.00000