# CIF generated by HEAS from Alexandria entry agm002172995 data_agm002172995 _cell_length_a 4.00306 _cell_length_b 4.00306 _cell_length_c 6.87439 _cell_angle_alpha 73.07276 _cell_angle_beta 73.07276 _cell_angle_gamma 60.00000 _cell_volume 89.84687 _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 Pr1 Pr 0.00000 0.00000 0.00000 1.00000 Ca1 Ca 0.50000 0.50000 0.50000 1.00000 O1 O 0.62260 0.62260 0.13221 1.00000 O2 O 0.37740 0.37740 0.86779 1.00000 O3 O 0.12881 0.12881 0.61357 1.00000 O4 O 0.87119 0.87119 0.38643 1.00000