data_[Ba2Zn2Ge2]
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
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [4.6957]
_cell_length_b [4.6967]
_cell_length_c [7.7607]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [BaZnGe]
_chemical_formula_sum '[Ba2 Zn2 Ge2]'
_cell_volume [171.1540]
_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
[
  Ba  Ba0  1  0.0000  0.5000  0.5556  1
  Ba  Ba1  1  0.5000  0.0000  0.9349  1
  Zn  Zn2  1  0.0000  0.0000  0.2371  1
  Zn  Zn3  1  0.0000  0.5000  0.0548  1
  Ge  Ge4  1  0.5000  0.0000  0.4258  1
  Ge  Ge5  1  0.5000  0.5000  0.2454  1
]