data_[V12Sn2Ge2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  V  1.6300  1.3500  0.7775
  Sn  1.9600  1.4500  0.8300
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.3677]
_cell_length_b [5.8623]
_cell_length_c [9.0838]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [V6SnGe]
_chemical_formula_sum '[V12 Sn2 Ge2]'
_cell_volume [232.5893]
_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
[
  V  V0  4  0.0000  0.2469  0.6515  1.0
  V  V1  4  0.5000  0.2333  0.3470  1.0
  V  V2  2  0.0000  0.0000  0.3810  1.0
  V  V3  2  0.5000  0.0000  0.1194  1.0
  Sn  Sn4  2  0.0000  0.0000  0.9078  1.0
  Ge  Ge5  2  0.5000  0.0000  0.5950  1.0
]