# CIF generated by HEAS from Alexandria entry agm005754338 data_agm005754338 _cell_length_a 5.88127 _cell_length_b 7.41545 _cell_length_c 7.41545 _cell_angle_alpha 67.47179 _cell_angle_beta 66.63697 _cell_angle_gamma 66.63698 _cell_volume 262.57481 _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 0.38397 0.11603 1.00000 Ca2 Ca 0.75000 0.61603 0.88397 1.00000 B1 B 0.66740 0.36359 0.30160 1.00000 B2 B 0.33260 0.63641 0.69840 1.00000 B3 B 0.16740 0.80160 0.86359 1.00000 B4 B 0.83260 0.19840 0.13641 1.00000 B5 B 0.12257 0.25150 0.50337 1.00000 B6 B 0.87743 0.74850 0.49663 1.00000 B7 B 0.62257 0.00337 0.75150 1.00000 B8 B 0.37743 0.99663 0.24850 1.00000 B9 B 0.08122 0.08864 0.74891 1.00000 B10 B 0.91878 0.91136 0.25109 1.00000 B11 B 0.58122 0.24891 0.58864 1.00000 B12 B 0.41878 0.75109 0.41136 1.00000 B13 B 0.72254 0.59929 0.27455 1.00000 B14 B 0.59638 0.40071 0.72545 1.00000 B15 B 0.22254 0.77455 0.09929 1.00000 B16 B 0.09638 0.22545 0.90071 1.00000 B17 B 0.27746 0.40071 0.72545 1.00000 B18 B 0.40362 0.59929 0.27455 1.00000 B19 B 0.77746 0.22545 0.90071 1.00000 B20 B 0.90362 0.77455 0.09929 1.00000 B21 B 0.32407 0.96921 0.87473 1.00000 B22 B 0.16802 0.03079 0.12527 1.00000 B23 B 0.82407 0.37473 0.46921 1.00000 B24 B 0.66802 0.62527 0.53079 1.00000 B25 B 0.67593 0.03079 0.12527 1.00000 B26 B 0.83198 0.96921 0.87473 1.00000 B27 B 0.17593 0.62527 0.53079 1.00000 B28 B 0.33198 0.37473 0.46921 1.00000 Mo1 Mo 0.50000 0.00000 0.50000 1.00000 Mo2 Mo 0.00000 0.00000 0.50000 1.00000