data_[Zr4V12Ge8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  V  1.6300  1.3500  0.7775
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.2487]
_cell_length_b [4.1032]
_cell_length_c [7.9601]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.8830]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [ZrV3Ge2]
_chemical_formula_sum '[Zr4 V12 Ge8]'
_cell_volume [382.4889]
_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
[
  Zr  Zr0  4  0.1459  0.0000  0.0567  1
  V  V1  4  0.0456  0.0000  0.3716  1
  V  V2  4  0.0760  0.5000  0.6593  1
  V  V3  4  0.1888  0.5000  0.4847  1
  Ge  Ge4  4  0.0282  0.5000  0.1632  1
  Ge  Ge5  4  0.1962  0.0000  0.7252  1
]