data_[Li2Ca2Zn2F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ca  1.0000  1.8000  1.1400
  Zn  1.6500  1.3500  0.8800
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P4_2nm]
_cell_length_a [4.9324]
_cell_length_b [4.9324]
_cell_length_c [9.7123]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [102]
_chemical_formula_structural [LiCaZnF6]
_chemical_formula_sum '[Li2 Ca2 Zn2 F12]'
_cell_volume [236.2891]
_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
[
  Li  Li0  2  0.0000  0.0000  0.0024  1.0
  Ca  Ca1  2  0.0000  0.0000  0.6692  1.0
  Zn  Zn2  2  0.0000  0.0000  0.3328  1.0
  F  F3  4  0.1785  0.8215  0.1726  1.0
  F  F4  4  0.1977  0.8023  0.4812  1.0
  F  F5  4  0.2141  0.7859  0.8439  1.0
]