data_[Mg2Zn2Cu2F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  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 [P4_2nm]
_cell_length_a [4.6481]
_cell_length_b [4.6481]
_cell_length_c [9.6859]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [102]
_chemical_formula_structural [MgZnCuF6]
_chemical_formula_sum '[Mg2 Zn2 Cu2 F12]'
_cell_volume [209.2583]
_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
[
  Mg  Mg0  2  0.0000  0.0000  0.6681  1.0
  Zn  Zn1  2  0.0000  0.0000  0.3308  1.0
  Cu  Cu2  2  0.0000  0.0000  0.0010  1.0
  F  F3  4  0.1984  0.8016  0.8275  1.0
  F  F4  4  0.2034  0.7966  0.1690  1.0
  F  F5  4  0.2056  0.7944  0.5036  1.0
]