# generated using pymatgen data_MoPCl10 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.97487828 _cell_length_b 7.32724510 _cell_length_c 13.44870423 _cell_angle_alpha 90.67155212 _cell_angle_beta 91.33993626 _cell_angle_gamma 106.43352913 _symmetry_Int_Tables_number 1 _chemical_formula_structural MoPCl10 _chemical_formula_sum 'Mo2 P2 Cl20' _cell_volume 658.93943113 _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 Mo Mo0 1 0.00000000 0.00000000 0.50000000 1.0 Mo Mo1 1 0.00000000 0.00000000 0.00000000 1.0 P P2 1 0.37706550 0.59294351 0.76112099 1.0 P P3 1 0.62293450 0.40705649 0.23887901 1.0 Cl Cl4 1 0.30417390 0.07679095 0.91994252 1.0 Cl Cl5 1 0.69582610 0.92320905 0.08005748 1.0 Cl Cl6 1 0.11800213 0.27450387 0.10220259 1.0 Cl Cl7 1 0.88199787 0.72549613 0.89779741 1.0 Cl Cl8 1 0.12847343 0.82404698 0.11312833 1.0 Cl Cl9 1 0.87152657 0.17595302 0.88687167 1.0 Cl Cl10 1 0.23243626 0.29517082 0.47815463 1.0 Cl Cl11 1 0.76756374 0.70482918 0.52184537 1.0 Cl Cl12 1 0.23903060 0.84462288 0.45319110 1.0 Cl Cl13 1 0.76096940 0.15537712 0.54680890 1.0 Cl Cl14 1 0.10473820 0.00784875 0.66530638 1.0 Cl Cl15 1 0.89526180 0.99215125 0.33469362 1.0 Cl Cl16 1 0.66571775 0.41214282 0.09701169 1.0 Cl Cl17 1 0.33428225 0.58785718 0.90298831 1.0 Cl Cl18 1 0.87886423 0.47784257 0.31004654 1.0 Cl Cl19 1 0.12113577 0.52215743 0.68995346 1.0 Cl Cl20 1 0.46906549 0.15654135 0.27857311 1.0 Cl Cl21 1 0.53093451 0.84345865 0.72142689 1.0 Cl Cl22 1 0.47794130 0.58901729 0.27369031 1.0 Cl Cl23 1 0.52205870 0.41098271 0.72630969 1.0