# CIF generated by HEAS from Alexandria entry agm005454331 data_agm005454331 _cell_length_a 4.89428 _cell_length_b 4.89428 _cell_length_c 4.89428 _cell_angle_alpha 60.00000 _cell_angle_beta 60.00000 _cell_angle_gamma 60.00000 _cell_volume 82.89963 _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 0.75000 0.75000 0.75000 1.00000 Mn1 Mn 0.87649 0.37450 0.37450 1.00000 Mn2 Mn 0.37450 0.37450 0.87649 1.00000 Mn3 Mn 0.37450 0.87649 0.37450 1.00000 Mn4 Mn 0.37450 0.37450 0.37450 1.00000 Ir1 Ir 0.00000 0.00000 0.00000 1.00000