data_[Cs1Ni3Ge5]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Ni  1.9100  1.3500  0.7400
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [4.8938]
_cell_length_b [4.8938]
_cell_length_c [9.3179]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [191]
_chemical_formula_structural [CsNi3Ge5]
_chemical_formula_sum '[Cs1 Ni3 Ge5]'
_cell_volume [193.2587]
_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  1  0.0000  0.0000  0.0000  1
  Ni  Ni1  3  0.0000  0.5000  0.5000  1
  Ge  Ge2  4  0.3333  0.6667  0.2772  1
  Ge  Ge3  1  0.0000  0.0000  0.5000  1
]