data_[Cu2Mo1F8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  Mo  2.1600  1.4500  0.7750
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.4399]
_cell_length_b [5.7119]
_cell_length_c [5.8112]
_cell_angle_alpha [74.6005]
_cell_angle_beta [89.3812]
_cell_angle_gamma [89.7824]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Cu2MoF8]
_chemical_formula_sum '[Cu2 Mo1 F8]'
_cell_volume [142.0717]
_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
[
  Cu  Cu0  2  0.2473  0.3785  0.3916  1
  Mo  Mo1  1  0.0000  0.0000  0.0000  1
  F  F2  2  0.2251  0.0893  0.6840  1
  F  F3  2  0.2378  0.7001  0.1139  1
  F  F4  2  0.2544  0.5876  0.5998  1
  F  F5  2  0.2662  0.1853  0.1612  1
]