data_[Ca4W2O8F2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  W  2.3600  1.3500  0.7667
  O  3.4400  0.6000  1.2600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.1710]
_cell_length_b [3.2488]
_cell_length_c [6.8004]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.9286]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ca2WO4F]
_chemical_formula_sum '[Ca4 W2 O8 F2]'
_cell_volume [202.0910]
_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
[
  Ca  Ca0  4  0.1805  0.0000  0.6845  1.0
  W  W1  2  0.0000  0.0000  0.0000  1.0
  O  O2  4  0.1096  0.5000  0.9425  1.0
  O  O3  4  0.1512  0.0000  0.2958  1.0
  F  F4  2  0.0000  0.5000  0.5000  1.0
]