data_[Zr6V4Ge8]
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 [11.7418]
_cell_length_b [3.7458]
_cell_length_c [8.1297]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.4446]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Zr3(VGe2)2]
_chemical_formula_sum '[Zr6 V4 Ge8]'
_cell_volume [322.8775]
_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
[
  Zr  Zr0  4  0.1264  0.5000  0.6976  1
  Zr  Zr1  2  0.0000  0.0000  0.0000  1
  V  V2  4  0.1975  0.5000  0.3667  1
  Ge  Ge3  4  0.0678  0.0000  0.3956  1
  Ge  Ge4  4  0.1936  0.5000  0.0631  1
]