data_[Ba6Ge2H2]
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
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.5051]
_cell_length_b [5.1527]
_cell_length_c [9.3291]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.4142]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ba3GeH]
_chemical_formula_sum '[Ba6 Ge2 H2]'
_cell_volume [407.6251]
_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  2  0.0447  0.7500  0.6827  1.0
  Ba  Ba1  2  0.3065  0.2500  0.9611  1.0
  Ba  Ba2  2  0.3690  0.7500  0.3669  1.0
  Ge  Ge3  2  0.4243  0.7500  0.7486  1.0
  H  H4  2  0.0473  0.7500  0.3970  1.0
]