data_[Th10Ge10Ru4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  Ge  2.0100  1.2500  0.7700
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.7210]
_cell_length_b [4.1901]
_cell_length_c [11.5567]
_cell_angle_alpha [90.0000]
_cell_angle_beta [131.4223]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Th5Ge5Ru2]
_chemical_formula_sum '[Th10 Ge10 Ru4]'
_cell_volume [570.8457]
_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
[
  Th  Th0  4  0.1227  0.5000  0.3127  1
  Th  Th1  4  0.2012  0.5000  0.0855  1
  Th  Th2  2  0.0000  0.0000  0.5000  1
  Ge  Ge3  4  0.0561  0.0000  0.8135  1
  Ge  Ge4  4  0.2034  0.5000  0.6337  1
  Ge  Ge5  2  0.0000  0.0000  0.0000  1
  Ru  Ru6  4  0.1180  0.5000  0.7606  1
]