data_[Ba4Ga4Ge4As2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ga  1.8100  1.3000  0.7600
  Ge  2.0100  1.2500  0.7700
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.8080]
_cell_length_b [5.0235]
_cell_length_c [8.8052]
_cell_angle_alpha [90.0000]
_cell_angle_beta [126.3238]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba2Ga2Ge2As]
_chemical_formula_sum '[Ba4 Ga4 Ge4 As2]'
_cell_volume [385.1728]
_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  4  0.0689  0.5000  0.8104  1.0
  Ga  Ga1  4  0.2252  0.0000  0.3622  1.0
  Ge  Ge2  4  0.1478  0.0000  0.5951  1.0
  As  As3  2  0.0000  0.0000  0.0000  1.0
]