#====================================================================== # CRYSTAL DATA #---------------------------------------------------------------------- _chemical_formula_structural 'P C' _cell_length_a 2.85227 _cell_length_b 4.95002 _cell_length_c 7.94117 _cell_angle_alpha 90 _cell_angle_beta 91.89931 _cell_angle_gamma 150.19621 _symmetry_space_group_name_H-M 'P -1' _symmetry_Int_Tables_number 2 loop_ _atom_site_label _atom_site_type_symbol _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_thermal_displace_type _atom_site_B_iso_or_equiv C1 C 1.0 0.03782 0.01752 0.09615 Biso 1.000 P1 P 1.0 1.07559 -0.29799 0.19920 Biso 1.000