data_[Cs2V2Zn2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  V  1.6300  1.3500  0.7775
  Zn  1.6500  1.3500  0.8800
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [5.4440]
_cell_length_b [5.4440]
_cell_length_c [8.1577]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [CsVZn]
_chemical_formula_sum '[Cs2 V2 Zn2]'
_cell_volume [209.3800]
_cell_formula_units_Z [2]
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  1  0.6667  0.3333  0.0000  1
  Cs  Cs1  1  0.6667  0.3333  0.5000  1
  V  V2  2  0.0000  0.0000  0.3883  1
  Zn  Zn3  2  0.3333  0.6667  0.3367  1
]