data_[Cs4Zn4F12]
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 [P2_1/c]
_cell_length_a [7.1316]
_cell_length_b [5.7620]
_cell_length_c [9.7181]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.3788]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [CsZnF3]
_chemical_formula_sum '[Cs4 Zn4 F12]'
_cell_volume [395.0814]
_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
[
  Cs  Cs0  4  0.3585  0.2228  0.8297  1.0
  Zn  Zn1  4  0.0792  0.7449  0.9733  1.0
  F  F2  4  0.0418  0.5446  0.1365  1.0
  F  F3  4  0.1582  0.0697  0.0678  1.0
  F  F4  4  0.3278  0.7134  0.9193  1.0
]