# CIF generated by HEAS from Alexandria entry agm005198344 data_agm005198344 _cell_length_a 3.84050 _cell_length_b 3.84043 _cell_length_c 7.21242 _cell_angle_alpha 90.00211 _cell_angle_beta 105.43355 _cell_angle_gamma 119.99703 _cell_volume 87.67021 _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 0.96947 0.38281 0.36745 1.00000 Sc1 Sc 0.30170 0.54873 0.86566 1.00000 Se1 Se 0.12163 0.95878 0.09554 1.00000 S1 S 0.48510 0.14048 0.64100 1.00000