data_[Zr4Nb4Ge4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Nb  1.6000  1.4500  0.8200
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.1556]
_cell_length_b [3.6982]
_cell_length_c [7.2794]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.0902]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [ZrNbGe]
_chemical_formula_sum '[Zr4 Nb4 Ge4]'
_cell_volume [229.0529]
_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  0.0816  0.5000  0.3325  1
  Nb  Nb1  4  0.1672  0.0000  0.0634  1
  Ge  Ge2  4  0.1422  0.0000  0.6703  1
]