data_[Ba3In2Ga2Ge4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  In  1.7800  1.5500  0.9400
  Ga  1.8100  1.3000  0.7600
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.4952]
_cell_length_b [4.4952]
_cell_length_c [18.1718]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Ba3In2(GaGe2)2]
_chemical_formula_sum '[Ba3 In2 Ga2 Ge4]'
_cell_volume [318.0059]
_cell_formula_units_Z [1]
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  0.0000  0.0000  0.2797  1.0
  Ba  Ba1  1  0.0000  0.0000  0.0000  1.0
  In  In2  2  0.3333  0.6667  0.4418  1.0
  Ga  Ga3  2  0.3333  0.6667  0.8490  1.0
  Ge  Ge4  2  0.3333  0.6667  0.1296  1.0
  Ge  Ge5  2  0.3333  0.6667  0.6044  1.0
]