# CIF generated by HEAS from Alexandria entry agm044690679 data_agm044690679 _cell_length_a 5.46462 _cell_length_b 5.46462 _cell_length_c 6.08761 _cell_angle_alpha 81.41975 _cell_angle_beta 81.41975 _cell_angle_gamma 119.98871 _cell_volume 150.28134 _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 0.00000 0.00000 0.50000 1.00000 Nb1 Nb 0.83352 0.16648 0.00000 1.00000 Nb2 Nb 0.16648 0.83352 0.00000 1.00000 Nb3 Nb 0.50000 0.50000 0.00000 1.00000 Cd1 Cd 0.66658 0.33342 0.50000 1.00000 Cd2 Cd 0.33342 0.66658 0.50000 1.00000 N1 N 0.57024 0.90267 0.79048 1.00000 N2 N 0.76425 0.76425 0.21031 1.00000 N3 N 0.42976 0.09733 0.20952 1.00000 N4 N 0.90267 0.57024 0.79048 1.00000 N5 N 0.23575 0.23575 0.78969 1.00000 N6 N 0.09733 0.42976 0.20952 1.00000