data_[La2Th10Ge12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Th  1.3000  1.8000  1.0800
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.4820]
_cell_length_b [12.9448]
_cell_length_c [7.4751]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4611]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LaTh5Ge6]
_chemical_formula_sum '[La2 Th10 Ge12]'
_cell_volume [682.6292]
_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
[
  La  La0  2  0.0000  0.0000  0.0000  1
  Th  Th1  4  0.0000  0.1657  0.5000  1
  Th  Th2  4  0.0000  0.3329  0.0000  1
  Th  Th3  2  0.0000  0.5000  0.5000  1
  Ge  Ge4  8  0.2470  0.3313  0.7474  1
  Ge  Ge5  4  0.2462  0.5000  0.2521  1
]