# CIF generated by HEAS from Alexandria entry agm004994792 data_agm004994792 _cell_length_a 4.02367 _cell_length_b 5.86411 _cell_length_c 7.58526 _cell_angle_alpha 104.83358 _cell_angle_beta 90.00000 _cell_angle_gamma 90.00000 _cell_volume 173.01118 _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 0.49978 0.00000 0.25000 1.00000 Ca2 Ca 0.50022 0.00000 0.75000 1.00000 Nd1 Nd 0.00028 0.50000 0.75000 1.00000 Nd2 Nd 0.99972 0.50000 0.25000 1.00000 B1 B 0.00000 0.00000 0.00000 1.00000 B2 B 0.00000 0.00000 0.50000 1.00000 N1 N 0.99969 0.80049 0.06006 1.00000 N2 N 0.99969 0.19951 0.43994 1.00000 N3 N 0.00031 0.80049 0.56006 1.00000 N4 N 0.00031 0.19951 0.93994 1.00000