data_[Ba4Ag1Ge3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ag  1.9300  1.6000  1.0867
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [4.5816]
_cell_length_b [5.0114]
_cell_length_c [12.0950]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Ba4AgGe3]
_chemical_formula_sum '[Ba4 Ag1 Ge3]'
_cell_volume [277.7040]
_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  1  0.0000  0.0000  0.8628  1.0
  Ba  Ba1  1  0.0000  0.5000  0.3596  1.0
  Ba  Ba2  1  0.5000  0.0000  0.1421  1.0
  Ba  Ba3  1  0.5000  0.5000  0.6321  1.0
  Ag  Ag4  1  0.5000  0.5000  0.9449  1.0
  Ge  Ge5  1  0.0000  0.0000  0.5619  1.0
  Ge  Ge6  1  0.0000  0.5000  0.0615  1.0
  Ge  Ge7  1  0.5000  0.0000  0.4351  1.0
]