data_[Ba2In4Ga1Ge3]
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-4m2]
_cell_length_a [5.0760]
_cell_length_b [5.0760]
_cell_length_c [10.9186]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [115]
_chemical_formula_structural [Ba2In4GaGe3]
_chemical_formula_sum '[Ba2 In4 Ga1 Ge3]'
_cell_volume [281.3292]
_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  0.5000  0.7358  1.0
  In  In1  2  0.0000  0.5000  0.3813  1.0
  In  In2  1  0.0000  0.0000  0.0000  1.0
  In  In3  1  0.5000  0.5000  0.0000  1.0
  Ga  Ga4  1  0.5000  0.5000  0.5000  1.0
  Ge  Ge5  2  0.0000  0.5000  0.1264  1.0
  Ge  Ge6  1  0.0000  0.0000  0.5000  1.0
]