data_[Ga2Ni8Ge6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ga  1.8100  1.3000  0.7600
  Ni  1.9100  1.3500  0.7400
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [11.6289]
_cell_length_b [3.8194]
_cell_length_c [4.8896]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.5299]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [GaNi4Ge3]
_chemical_formula_sum '[Ga2 Ni8 Ge6]'
_cell_volume [213.5129]
_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
[
  Ga  Ga0  2  0.4293  0.0000  0.7134  1.0
  Ni  Ni1  2  0.0010  0.0000  0.4992  1.0
  Ni  Ni2  2  0.0017  0.0000  0.0014  1.0
  Ni  Ni3  2  0.2034  0.0000  0.3304  1.0
  Ni  Ni4  2  0.2950  0.5000  0.6685  1.0
  Ge  Ge5  2  0.0685  0.5000  0.2873  1.0
  Ge  Ge6  2  0.1859  0.0000  0.8222  1.0
  Ge  Ge7  2  0.3152  0.5000  0.1776  1.0
]