# CIF generated by HEAS from Alexandria entry agm005657983 data_agm005657983 _cell_length_a 4.67719 _cell_length_b 8.63574 _cell_length_c 8.63574 _cell_angle_alpha 88.93713 _cell_angle_beta 74.30012 _cell_angle_gamma 74.30011 _cell_volume 322.70261 _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 Ca1 Ca 0.24776 0.11561 0.38873 1.00000 Ca2 Ca 0.75224 0.88439 0.61127 1.00000 Ca3 Ca 0.75224 0.61127 0.88439 1.00000 Ca4 Ca 0.50000 0.63519 0.36481 1.00000 Ca5 Ca 0.50000 0.36481 0.63519 1.00000 Ca6 Ca 0.24776 0.38873 0.11561 1.00000 Ir1 Ir 0.28530 0.71479 0.71479 1.00000 Ir2 Ir 0.71470 0.28521 0.28521 1.00000