data_[V16Ge16As16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  V  1.6300  1.3500  0.7775
  Ge  2.0100  1.2500  0.7700
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [Fddd]
_cell_length_a [5.1265]
_cell_length_b [8.9645]
_cell_length_c [16.6426]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [70]
_chemical_formula_structural [VGeAs]
_chemical_formula_sum '[V16 Ge16 As16]'
_cell_volume [764.8292]
_cell_formula_units_Z [16]
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
[
  V  V0  16  0.0000  0.0000  0.1262  1
  Ge  Ge1  16  0.0000  0.0000  0.4237  1
  As  As2  16  0.0000  0.1675  0.0000  1
]