# generated using pymatgen
data_BaGe6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.98210346
_cell_length_b   5.98210346
_cell_length_c   12.48049700
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   131.99781258
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaGe6
_chemical_formula_sum   'Ba2 Ge12'
_cell_volume   331.91593811
_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  0.73053900  0.26946100  0.25000000  1.0
  Ba  Ba1  1  0.26946100  0.73053900  0.75000000  1.0
  Ge  Ge2  1  0.75121100  0.24878900  0.96371400  1.0
  Ge  Ge3  1  0.24878900  0.75121100  0.03628600  1.0
  Ge  Ge4  1  0.75121100  0.24878900  0.53628600  1.0
  Ge  Ge5  1  0.24878900  0.75121100  0.46371400  1.0
  Ge  Ge6  1  0.55459300  0.44540700  0.85441600  1.0
  Ge  Ge7  1  0.44540700  0.55459300  0.14558400  1.0
  Ge  Ge8  1  0.55459300  0.44540700  0.64558400  1.0
  Ge  Ge9  1  0.44540700  0.55459300  0.35441600  1.0
  Ge  Ge10  1  0.97594500  0.02405500  0.89919400  1.0
  Ge  Ge11  1  0.02405500  0.97594500  0.10080600  1.0
  Ge  Ge12  1  0.97594500  0.02405500  0.60080600  1.0
  Ge  Ge13  1  0.02405500  0.97594500  0.39919400  1.0