data_[Ca4Zn4F16]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.9258]
_cell_length_b [15.1811]
_cell_length_c [5.4559]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [CaZnF4]
_chemical_formula_sum '[Ca4 Zn4 F16]'
_cell_volume [325.1602]
_cell_formula_units_Z [4]
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  4  0.0000  0.1783  0.0690  1.0
  Zn  Zn1  4  0.0000  0.4184  0.0101  1.0
  F  F2  4  0.0000  0.1013  0.4582  1.0
  F  F3  4  0.0000  0.2923  0.7915  1.0
  F  F4  4  0.0000  0.3322  0.2976  1.0
  F  F5  4  0.0000  0.4607  0.6450  1.0
]