data_[Cs4Zn12Sn4]
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
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [4.0331]
_cell_length_b [33.2344]
_cell_length_c [3.9620]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [CsZn3Sn]
_chemical_formula_sum '[Cs4 Zn12 Sn4]'
_cell_volume [531.0601]
_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  0.0000  0.1254  0.5000  1
  Zn  Zn1  4  0.0000  0.0377  0.0000  1
  Zn  Zn2  4  0.0000  0.2266  0.5000  1
  Zn  Zn3  4  0.0000  0.4621  0.5000  1
  Sn  Sn4  4  0.0000  0.2927  0.0000  1
]