# CIF generated by HEAS from Alexandria entry agm003246764 data_agm003246764 _cell_length_a 4.42614 _cell_length_b 7.04838 _cell_length_c 13.81772 _cell_angle_alpha 90.00000 _cell_angle_beta 90.00000 _cell_angle_gamma 90.00000 _cell_volume 431.07357 _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 0.98561 0.26064 0.41056 1.00000 Ca2 Ca 0.48561 0.73936 0.58944 1.00000 Ca3 Ca 0.48561 0.76064 0.08944 1.00000 Ca4 Ca 0.98561 0.23936 0.91056 1.00000 B1 B 0.34081 0.38533 0.23287 1.00000 B2 B 0.84081 0.61467 0.76713 1.00000 B3 B 0.84081 0.88533 0.26713 1.00000 B4 B 0.34081 0.11467 0.73287 1.00000 B5 B 0.54351 0.27199 0.07706 1.00000 B6 B 0.04351 0.72801 0.92294 1.00000 B7 B 0.04351 0.77199 0.42294 1.00000 B8 B 0.54351 0.22801 0.57706 1.00000 B9 B 0.05241 0.13806 0.14766 1.00000 B10 B 0.55241 0.86194 0.85234 1.00000 B11 B 0.55241 0.63806 0.35234 1.00000 B12 B 0.05241 0.36194 0.64766 1.00000 O1 O 0.48050 0.43090 0.14668 1.00000 O2 O 0.98050 0.56910 0.85332 1.00000 O3 O 0.98050 0.93090 0.35332 1.00000 O4 O 0.48050 0.06910 0.64668 1.00000 O5 O 0.10816 0.25509 0.23558 1.00000 O6 O 0.60816 0.74491 0.76442 1.00000 O7 O 0.60816 0.75509 0.26442 1.00000 O8 O 0.10816 0.24491 0.73558 1.00000 O9 O 0.35280 0.10203 0.09978 1.00000 O10 O 0.85280 0.89797 0.90022 1.00000 O11 O 0.85280 0.60203 0.40022 1.00000 O12 O 0.35280 0.39797 0.59978 1.00000 O13 O 0.42170 0.45524 0.32184 1.00000 O14 O 0.92170 0.54476 0.67816 1.00000 O15 O 0.92170 0.95524 0.17816 1.00000 O16 O 0.42170 0.04476 0.82184 1.00000 O17 O 0.86319 0.22680 0.07590 1.00000 O18 O 0.36319 0.77320 0.92410 1.00000 O19 O 0.36319 0.72680 0.42410 1.00000 O20 O 0.86319 0.27320 0.57590 1.00000 O21 O 0.45630 0.31473 0.97832 1.00000 O22 O 0.95630 0.68527 0.02168 1.00000 O23 O 0.95630 0.81473 0.52168 1.00000 O24 O 0.45630 0.18527 0.47832 1.00000