# CIF generated by HEAS from Alexandria entry agm004787655 data_agm004787655 _cell_length_a 6.97665 _cell_length_b 6.55911 _cell_length_c 6.55911 _cell_angle_alpha 64.22120 _cell_angle_beta 57.87090 _cell_angle_gamma 57.87090 _cell_volume 210.35999 _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 0.00000 0.00000 0.00000 1.00000 Er1 Er 0.50000 0.50000 0.50000 1.00000 Cu1 Cu 0.24982 0.25018 0.25018 1.00000 Cu2 Cu 0.75018 0.74982 0.74982 1.00000 Se1 Se 0.48426 0.08452 0.51563 1.00000 Se2 Se 0.08441 0.91548 0.48437 1.00000 Se3 Se 0.91559 0.51563 0.08452 1.00000 Se4 Se 0.51574 0.48437 0.91548 1.00000