data_[Ba4Si4Ge4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Si  1.9000  1.1000  0.5400
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [P2_13]
_cell_length_a [6.8989]
_cell_length_b [6.8989]
_cell_length_c [6.8989]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [198]
_chemical_formula_structural [BaSiGe]
_chemical_formula_sum '[Ba4 Si4 Ge4]'
_cell_volume [328.3458]
_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
[
  Ba  Ba0  4  0.1261  0.1261  0.1261  1.0
  Si  Si1  4  0.0772  0.5772  0.9228  1.0
  Ge  Ge2  4  0.1720  0.3280  0.6720  1.0
]