data_[Th4Mn4Ge8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  Mn  1.5500  1.4000  0.6483
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [4.2897]
_cell_length_b [17.3607]
_cell_length_c [4.1946]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [ThMnGe2]
_chemical_formula_sum '[Th4 Mn4 Ge8]'
_cell_volume [312.3785]
_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
[
  Th  Th0  4  0.0000  0.1452  0.0000  1
  Mn  Mn1  4  0.0000  0.4281  0.5000  1
  Ge  Ge2  4  0.0000  0.2914  0.5000  1
  Ge  Ge3  2  0.0000  0.0000  0.5000  1
  Ge  Ge4  2  0.0000  0.5000  0.0000  1
]