# CIF generated by HEAS from Alexandria entry agm004875882 data_agm004875882 _cell_length_a 4.67603 _cell_length_b 4.67603 _cell_length_c 6.23204 _cell_angle_alpha 67.96576 _cell_angle_beta 67.96576 _cell_angle_gamma 60.00000 _cell_volume 106.36132 _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 0.50000 0.50000 0.50000 1.00000 Zn1 Zn 0.00000 0.00000 0.00000 1.00000 H1 H 0.18863 0.18863 0.43412 1.00000 H2 H 0.61426 0.06184 0.26588 1.00000 H3 H 0.81137 0.81137 0.56588 1.00000 H4 H 0.05802 0.61426 0.26588 1.00000 H5 H 0.94198 0.38574 0.73412 1.00000 H6 H 0.06184 0.05802 0.26588 1.00000 H7 H 0.93816 0.94198 0.73412 1.00000 H8 H 0.38574 0.93816 0.73412 1.00000 Ir1 Ir 0.28250 0.28250 0.15249 1.00000 Ir2 Ir 0.71750 0.71750 0.84751 1.00000