data_[Ba4Ge8As8]
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
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [P4_2mc]
_cell_length_a [7.9354]
_cell_length_b [7.9354]
_cell_length_c [8.8139]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [105]
_chemical_formula_structural [Ba(GeAs)2]
_chemical_formula_sum '[Ba4 Ge8 As8]'
_cell_volume [555.0152]
_cell_formula_units_Z [4]
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  0.4992  1.0
  Ba  Ba1  2  0.0000  0.5000  0.5243  1.0
  Ge  Ge2  4  0.1635  0.5000  0.1077  1.0
  Ge  Ge3  4  0.3342  0.5000  0.8660  1.0
  As  As4  8  0.2293  0.2450  0.2557  1.0
]