# generated using pymatgen data_CsPO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.32072700 _cell_length_b 6.42298100 _cell_length_c 8.13147276 _cell_angle_alpha 90.00000000 _cell_angle_beta 107.67016908 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CsPO4 _chemical_formula_sum 'Cs2 P2 O8' _cell_volume 264.78143319 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cs Cs0 1 0.23865800 0.25000000 0.25752400 1.0 Cs Cs1 1 0.76134200 0.75000000 0.74247600 1.0 P P2 1 0.72352400 0.75000000 0.23939900 1.0 P P3 1 0.27647600 0.25000000 0.76060100 1.0 O O4 1 0.98313700 0.75000000 0.39197600 1.0 O O5 1 0.01686300 0.25000000 0.60802400 1.0 O O6 1 0.49191900 0.75000000 0.31528800 1.0 O O7 1 0.50808100 0.25000000 0.68471200 1.0 O O8 1 0.72613900 0.94950800 0.13395700 1.0 O O9 1 0.27386100 0.44950800 0.86604300 1.0 O O10 1 0.27386100 0.05049200 0.86604300 1.0 O O11 1 0.72613900 0.55049200 0.13395700 1.0