data_[Cs2Ca1Zn1F6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  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 [P-3m1]
_cell_length_a [6.5028]
_cell_length_b [6.5028]
_cell_length_c [5.8357]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Cs2CaZnF6]
_chemical_formula_sum '[Cs2 Ca1 Zn1 F6]'
_cell_volume [213.7107]
_cell_formula_units_Z [1]
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
[
  Cs  Cs0  2  0.3333  0.6667  0.8313  1.0
  Ca  Ca1  1  0.0000  0.0000  0.5000  1.0
  Zn  Zn2  1  0.0000  0.0000  0.0000  1.0
  F  F3  6  0.1438  0.8562  0.2252  1.0
]