data_[V6Fe2Ge8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  V  1.6300  1.3500  0.7775
  Fe  1.8300  1.4000  0.8525
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [9.3312]
_cell_length_b [4.9961]
_cell_length_c [4.9913]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [V3FeGe4]
_chemical_formula_sum '[V6 Fe2 Ge8]'
_cell_volume [232.6905]
_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  0.2440  0.6399  0.1276  1
  V  V1  2  0.0000  0.8303  0.6048  1
  Fe  Fe2  2  0.0000  0.3546  0.9269  1
  Ge  Ge3  4  0.2254  0.1495  0.0977  1
  Ge  Ge4  2  0.0000  0.3409  0.4342  1
  Ge  Ge5  2  0.0000  0.8365  0.0988  1
]