data_[Ni4Ge6Mo2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ni  1.9100  1.3500  0.7400
  Ge  2.0100  1.2500  0.7700
  Mo  2.1600  1.4500  0.7750
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [3.5825]
_cell_length_b [8.9282]
_cell_length_c [5.4147]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [Ni2Ge3Mo]
_chemical_formula_sum '[Ni4 Ge6 Mo2]'
_cell_volume [173.1890]
_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
[
  Ni  Ni0  2  0.0000  0.2213  0.0061  1.0
  Ni  Ni1  2  0.5000  0.4600  0.9811  1.0
  Ge  Ge2  2  0.0000  0.3933  0.6739  1.0
  Ge  Ge3  2  0.5000  0.0837  0.8385  1.0
  Ge  Ge4  2  0.5000  0.2812  0.3006  1.0
  Mo  Mo5  2  0.0000  0.1023  0.4984  1.0
]