data_[Ca2Co2Ni2F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Co  1.8800  1.3500  0.7683
  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 [4.9267]
_cell_length_b [4.9267]
_cell_length_c [9.8190]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [102]
_chemical_formula_structural [CaCoNiF6]
_chemical_formula_sum '[Ca2 Co2 Ni2 F12]'
_cell_volume [238.3299]
_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  0.9997  1.0
  Co  Co1  2  0.0000  0.0000  0.6675  1.0
  Ni  Ni2  2  0.0000  0.0000  0.3324  1.0
  F  F3  4  0.1799  0.8201  0.4980  1.0
  F  F4  4  0.2039  0.7961  0.1803  1.0
  F  F5  4  0.2073  0.7927  0.8219  1.0
]