data_[Na1Co1Cu2F6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Co  1.8800  1.3500  0.7683
  Cu  1.9000  1.3500  0.8200
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.4046]
_cell_length_b [5.4093]
_cell_length_c [5.7328]
_cell_angle_alpha [64.4808]
_cell_angle_beta [62.7775]
_cell_angle_gamma [61.6881]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [NaCoCu2F6]
_chemical_formula_sum '[Na1 Co1 Cu2 F6]'
_cell_volume [126.2173]
_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
[
  Na  Na0  1  0.1922  0.1858  0.4234  1
  Co  Co1  1  0.6785  0.6784  0.9583  1
  Cu  Cu2  1  0.4782  0.4829  0.5568  1
  Cu  Cu3  1  0.9961  0.9825  0.0362  1
  F  F4  1  0.0741  0.7575  0.7682  1
  F  F5  1  0.2969  0.5955  0.2658  1
  F  F6  1  0.3857  0.0564  0.7862  1
  F  F7  1  0.6275  0.8867  0.2186  1
  F  F8  1  0.7435  0.4271  0.7415  1
  F  F9  1  0.8657  0.2854  0.2298  1
]