# generated using pymatgen
data_Mo5(O4F)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.47146218
_cell_length_b   6.62685567
_cell_length_c   8.40579758
_cell_angle_alpha   103.77984006
_cell_angle_beta   108.60880043
_cell_angle_gamma   89.16066537
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mo5(O4F)3
_chemical_formula_sum   'Mo5 O12 F3'
_cell_volume   279.91054510
_cell_formula_units_Z   1
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  0.95503950  0.98370408  0.99174021  1.0
  Mo  Mo1  1  0.37098455  0.61411204  0.80392273  1.0
  Mo  Mo2  1  0.84027949  0.19507723  0.59827872  1.0
  Mo  Mo3  1  0.25141692  0.81555747  0.40562690  1.0
  Mo  Mo4  1  0.60163519  0.39737869  0.19748498  1.0
  O  O5  1  0.67647717  0.80341190  0.90153115  1.0
  O  O6  1  0.17396634  0.79403610  0.89511913  1.0
  O  O7  1  0.10041042  0.39981942  0.69905894  1.0
  O  O8  1  0.89948678  0.10035273  0.80068087  1.0
  O  O9  1  0.51564504  0.00087690  0.49806632  1.0
  O  O10  1  0.01671010  0.00430902  0.50183031  1.0
  O  O11  1  0.30133603  0.70227454  0.59826756  1.0
  O  O12  1  0.70321360  0.30318934  0.39978308  1.0
  O  O13  1  0.41152453  0.60458870  0.29976122  1.0
  O  O14  1  0.78088042  0.19692532  0.09804367  1.0
  O  O15  1  0.09993249  0.90181739  0.19935807  1.0
  O  O16  1  0.49715115  0.50024759  0.99986898  1.0
  F  F17  1  0.60036671  0.40039641  0.69942707  1.0
  F  F18  1  0.90746508  0.59824581  0.29641218  1.0
  F  F19  1  0.28844949  0.20402331  0.10217392  1.0