# CIF generated by HEAS from Alexandria entry agm005201374 data_agm005201374 _cell_length_a 4.20406 _cell_length_b 4.20413 _cell_length_c 8.09251 _cell_angle_alpha 90.00010 _cell_angle_beta 105.05366 _cell_angle_gamma 119.99969 _cell_volume 118.16688 _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 0.09808 0.94700 0.06038 1.00000 Nd1 Nd 0.50692 0.15141 0.67358 1.00000 P1 P 0.30671 0.55130 0.87331 1.00000 I1 I 0.96619 0.38110 0.36239 1.00000