# CIF generated by HEAS from Alexandria entry agm005257969 data_agm005257969 _cell_length_a 3.20480 _cell_length_b 3.46048 _cell_length_c 17.12643 _cell_angle_alpha 90.00000 _cell_angle_beta 90.00000 _cell_angle_gamma 90.00000 _cell_volume 189.93458 _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 0.25000 0.45638 0.61453 1.00000 Ca2 Ca 0.25000 0.04362 0.11453 1.00000 Ca3 Ca 0.75000 0.54362 0.38547 1.00000 Ca4 Ca 0.75000 0.95638 0.88547 1.00000 B1 B 0.25000 0.94121 0.48888 1.00000 B2 B 0.25000 0.55879 0.98888 1.00000 B3 B 0.75000 0.05879 0.51112 1.00000 B4 B 0.75000 0.44121 0.01112 1.00000 B5 B 0.25000 0.14148 0.26229 1.00000 B6 B 0.25000 0.35852 0.76229 1.00000 B7 B 0.75000 0.85852 0.73771 1.00000 B8 B 0.75000 0.64148 0.23771 1.00000 H1 H 0.25000 0.38493 0.83574 1.00000 H2 H 0.25000 0.11507 0.33574 1.00000 H3 H 0.75000 0.61507 0.16426 1.00000 H4 H 0.75000 0.88493 0.66426 1.00000 H5 H 0.25000 0.60895 0.46333 1.00000 H6 H 0.25000 0.89105 0.96333 1.00000 H7 H 0.75000 0.39105 0.53667 1.00000 H8 H 0.75000 0.10895 0.03667 1.00000