data_[Cu2Mo2O6F4]
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
  O  3.4400  0.6000  1.2600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [3.6477]
_cell_length_b [9.4425]
_cell_length_c [5.2028]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.6547]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CuMoO3F2]
_chemical_formula_sum '[Cu2 Mo2 O6 F4]'
_cell_volume [171.6870]
_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
[
  Cu  Cu0  2  0.0000  0.0000  0.0000  1
  Mo  Mo1  2  0.2231  0.7500  0.5355  1
  O  O2  4  0.1306  0.6058  0.3153  1
  O  O3  2  0.2411  0.2500  0.3693  1
  F  F4  4  0.3618  0.6088  0.8712  1
]