data_[Cr4Mo4F20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cr  1.6600  1.4000  0.9400
  Mo  2.1600  1.4500  0.7750
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.3624]
_cell_length_b [10.0606]
_cell_length_c [8.5327]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.4779]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [CrMoF5]
_chemical_formula_sum '[Cr4 Mo4 F20]'
_cell_volume [439.0740]
_cell_formula_units_Z [4]
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
[
  Cr  Cr0  4  0.1024  0.7291  0.8748  1
  Mo  Mo1  4  0.4818  0.5152  0.2968  1
  F  F2  4  0.1495  0.1003  0.7634  1
  F  F3  4  0.1869  0.1375  0.1417  1
  F  F4  4  0.2454  0.6570  0.1482  1
  F  F5  4  0.3568  0.6147  0.4875  1
  F  F6  4  0.3990  0.6028  0.8671  1
]