data_[Nb4Ge8Mo4]
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 [5.8464]
_cell_length_b [11.5431]
_cell_length_c [5.0176]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.6184]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [NbGe2Mo]
_chemical_formula_sum '[Nb4 Ge8 Mo4]'
_cell_volume [302.7243]
_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  4  0.0000  0.0781  0.7500  1
  Ge  Ge1  8  0.2380  0.8466  0.8734  1
  Mo  Mo2  4  0.0000  0.4939  0.7500  1
]