# CIF generated by HEAS from Alexandria entry agm002017347 data_agm002017347 _cell_length_a 4.13636 _cell_length_b 7.56843 _cell_length_c 8.30001 _cell_angle_alpha 90.00000 _cell_angle_beta 118.56854 _cell_angle_gamma 90.00000 _cell_volume 228.20169 _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 0.03010 0.25341 0.18901 1.00000 Ca2 Ca 0.03010 0.74659 0.18901 1.00000 Ca3 Ca 0.03010 0.75341 0.68901 1.00000 Ca4 Ca 0.03010 0.24659 0.68901 1.00000 B1 B 0.59518 0.00000 0.39507 1.00000 B2 B 0.59518 0.50000 0.89507 1.00000 B3 B 0.46278 0.00000 0.53680 1.00000 B4 B 0.46278 0.50000 0.03680 1.00000 S1 S 0.61002 0.00000 0.78388 1.00000 S2 S 0.61002 0.50000 0.28388 1.00000 S3 S 0.49631 0.00000 0.15680 1.00000 S4 S 0.49631 0.50000 0.65680 1.00000