# CIF generated by HEAS from Alexandria entry agm005679526 data_agm005679526 _cell_length_a 6.83935 _cell_length_b 6.83935 _cell_length_c 6.83935 _cell_angle_alpha 82.86439 _cell_angle_beta 82.86439 _cell_angle_gamma 82.86438 _cell_volume 313.05686 _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 0.67262 0.67262 0.67262 1.00000 Ca2 Ca 0.32738 0.32738 0.32738 1.00000 Zn1 Zn 0.29143 0.70857 0.00000 1.00000 Zn2 Zn 0.70857 1.00000 0.29143 1.00000 Zn3 Zn 0.00000 0.29143 0.70857 1.00000 Zn4 Zn 0.70857 0.29143 1.00000 1.00000 Zn5 Zn 0.29143 0.00000 0.70857 1.00000 Zn6 Zn 1.00000 0.70857 0.29143 1.00000 Zn7 Zn 0.34837 0.34837 0.85364 1.00000 Zn8 Zn 0.34837 0.85364 0.34837 1.00000 Zn9 Zn 0.85364 0.34837 0.34837 1.00000 Zn10 Zn 0.65163 0.14636 0.65163 1.00000 Zn11 Zn 0.65163 0.65163 0.14636 1.00000 Zn12 Zn 0.14636 0.65163 0.65163 1.00000 Ir1 Ir 0.00000 0.00000 0.50000 1.00000 Ir2 Ir 0.00000 0.50000 0.00000 1.00000 Ir3 Ir 0.50000 0.00000 0.00000 1.00000 Ir4 Ir 0.90316 0.90316 0.90316 1.00000 Ir5 Ir 0.09684 0.09684 0.09684 1.00000