# CIF generated by HEAS from Alexandria entry agm003071069 data_agm003071069 _cell_length_a 3.18197 _cell_length_b 6.59745 _cell_length_c 4.89989 _cell_angle_alpha 89.99994 _cell_angle_beta 90.01301 _cell_angle_gamma 89.79047 _cell_volume 102.86215 _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 H1 H 0.02409 0.59097 0.65192 1.00000 H2 H 0.02532 0.03924 0.15194 1.00000 Ca1 Ca 0.02771 0.97796 0.65199 1.00000 Ca2 Ca 0.02154 0.65224 0.15199 1.00000 Nb1 Nb 0.52414 0.22366 0.15200 1.00000 Nb2 Nb 0.52516 0.40655 0.65200 1.00000