data_[Nb8Ge12Mo4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  Ge  2.0100  1.2500  0.7700
  Mo  2.1600  1.4500  0.7750
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.7095]
_cell_length_b [5.2763]
_cell_length_c [7.8280]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.4713]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Nb2Ge3Mo]
_chemical_formula_sum '[Nb8 Ge12 Mo4]'
_cell_volume [408.7465]
_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
[
  Nb  Nb0  8  0.1820  0.4982  0.5802  1
  Ge  Ge1  8  0.1349  0.0034  0.0711  1
  Ge  Ge2  4  0.0000  0.3043  0.7500  1
  Mo  Mo3  4  0.0000  0.2075  0.2500  1
]