data_[Ca2Zn2Ni2F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Zn  1.6500  1.3500  0.8800
  Ni  1.9100  1.3500  0.7400
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P4_2nm]
_cell_length_a [4.9279]
_cell_length_b [4.9279]
_cell_length_c [9.8042]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [102]
_chemical_formula_structural [CaZnNiF6]
_chemical_formula_sum '[Ca2 Zn2 Ni2 F12]'
_cell_volume [238.0891]
_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  2  0.0000  0.0000  0.6666  1.0
  Zn  Zn1  2  0.0000  0.0000  0.3344  1.0
  Ni  Ni2  2  0.0000  0.0000  0.9993  1.0
  F  F3  4  0.1797  0.8203  0.1642  1.0
  F  F4  4  0.2032  0.7968  0.8475  1.0
  F  F5  4  0.2072  0.7928  0.4881  1.0
]