data_[Ba2Zn2Sn1Ge1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Zn  1.6500  1.3500  0.8800
  Sn  1.9600  1.4500  0.8300
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [4.6209]
_cell_length_b [4.6209]
_cell_length_c [9.8908]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [Ba2Zn2SnGe]
_chemical_formula_sum '[Ba2 Zn2 Sn1 Ge1]'
_cell_volume [182.9037]
_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
[
  Ba  Ba0  2  0.3333  0.6667  0.2432  1
  Zn  Zn1  1  0.0000  0.0000  0.5000  1
  Zn  Zn2  1  0.6667  0.3333  0.0000  1
  Sn  Sn3  1  0.6667  0.3333  0.5000  1
  Ge  Ge4  1  0.0000  0.0000  0.0000  1
]