data_[Cs3Zn1F6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Zn  1.6500  1.3500  0.8800
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.2280]
_cell_length_b [6.2712]
_cell_length_c [6.4978]
_cell_angle_alpha [90.1197]
_cell_angle_beta [117.9051]
_cell_angle_gamma [119.4929]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Cs3ZnF6]
_chemical_formula_sum '[Cs3 Zn1 F6]'
_cell_volume [186.0841]
_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  0.4980  0.2447  0.7494  1
  Cs  Cs1  1  0.0000  0.5000  0.5000  1
  Zn  Zn2  1  0.0000  0.0000  0.0000  1
  F  F3  2  0.0186  0.7500  0.8415  1
  F  F4  2  0.0460  0.8526  0.2705  1
  F  F5  2  0.4282  0.2393  0.1747  1
]