data_[Ba10Ge8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.1648]
_cell_length_b [5.1166]
_cell_length_c [11.2015]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.6639]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba5Ge4]
_chemical_formula_sum '[Ba10 Ge8]'
_cell_volume [643.3677]
_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  4  0.1035  0.0000  0.3993  1.0
  Ba  Ba1  4  0.2406  0.0000  0.8209  1.0
  Ba  Ba2  2  0.0000  0.0000  0.0000  1.0
  Ge  Ge3  4  0.0490  0.5000  0.8200  1.0
  Ge  Ge4  4  0.0993  0.5000  0.6096  1.0
]