data_[Th2Ga1Ni6Ge1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  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 [P-1]
_cell_length_a [5.5379]
_cell_length_b [6.0218]
_cell_length_c [6.3349]
_cell_angle_alpha [62.8480]
_cell_angle_beta [68.0373]
_cell_angle_gamma [66.0046]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Th2GaNi6Ge]
_chemical_formula_sum '[Th2 Ga1 Ni6 Ge1]'
_cell_volume [167.0546]
_cell_formula_units_Z [1]
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
[
  Th  Th0  2  0.1486  0.3155  0.2676  1
  Ga  Ga1  1  0.5000  0.5000  0.5000  1
  Ni  Ni2  2  0.3062  0.6974  0.7956  1
  Ni  Ni3  2  0.3714  0.1179  0.6626  1
  Ni  Ni4  2  0.4256  0.7878  0.1034  1
  Ge  Ge5  1  0.0000  0.0000  0.0000  1
]