# CIF generated by HEAS from Alexandria entry agm004635640 data_agm004635640 _cell_length_a 8.15681 _cell_length_b 8.15681 _cell_length_c 8.04905 _cell_angle_alpha 99.69659 _cell_angle_beta 99.69659 _cell_angle_gamma 120.01369 _cell_volume 436.60605 _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 Ba1 Ba 0.91882 0.57550 0.75686 1.00000 Ba2 Ba 0.73866 0.73866 0.24496 1.00000 Ba3 Ba 0.08118 0.42450 0.24314 1.00000 Ba4 Ba 0.57550 0.91882 0.75686 1.00000 Ba5 Ba 0.26134 0.26134 0.75504 1.00000 Ba6 Ba 0.42450 0.08118 0.24314 1.00000 As1 As 0.00000 0.00000 0.00000 1.00000 Se1 Se 0.16439 0.83561 0.50000 1.00000 Se2 Se 0.83561 0.16439 0.50000 1.00000 Se3 Se 0.50000 0.50000 0.50000 1.00000 S1 S 0.33323 0.66677 0.00000 1.00000 S2 S 0.66677 0.33323 0.00000 1.00000