# CIF generated by HEAS from Alexandria entry agm005803486 data_agm005803486 _cell_length_a 4.32800 _cell_length_b 8.23786 _cell_length_c 12.03490 _cell_angle_alpha 90.00001 _cell_angle_beta 90.00000 _cell_angle_gamma 105.22973 _cell_volume 414.01691 _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 0.62917 0.25834 0.01850 1.00000 Ca2 Ca 0.99696 0.99392 0.75000 1.00000 Ca3 Ca 0.62917 0.25834 0.48150 1.00000 Ca4 Ca 0.00304 0.00608 0.25000 1.00000 Ca5 Ca 0.37083 0.74166 0.98150 1.00000 Ca6 Ca 0.37083 0.74166 0.51850 1.00000 Se1 Se 0.00000 0.00000 0.00000 1.00000 Se2 Se 0.00000 0.00000 0.50000 1.00000 Se3 Se 0.62112 0.24224 0.25000 1.00000 Se4 Se 0.37888 0.75776 0.75000 1.00000 I1 I 0.35031 0.70062 0.25000 1.00000 I2 I 0.64969 0.29938 0.75000 1.00000