data_[Zn4Cu4F16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  Cu  1.9000  1.3500  0.8200
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.9997]
_cell_length_b [5.8112]
_cell_length_c [4.9864]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.6785]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [ZnCuF4]
_chemical_formula_sum '[Zn4 Cu4 F16]'
_cell_volume [294.0946]
_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
[
  Zn  Zn0  4  0.0000  0.3128  0.2500  1.0
  Cu  Cu1  4  0.2500  0.2500  0.0000  1.0
  F  F2  8  0.1088  0.3932  0.6804  1.0
  F  F3  8  0.1335  0.1291  0.1686  1.0
]