data_[Th2Mn1Rh9]
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
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.0573]
_cell_length_b [4.0573]
_cell_length_c [12.0055]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Th2MnRh9]
_chemical_formula_sum '[Th2 Mn1 Rh9]'
_cell_volume [197.6270]
_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  0.0000  0.0000  0.3259  1
  Mn  Mn1  1  0.0000  0.0000  0.0000  1
  Rh  Rh2  4  0.0000  0.5000  0.1474  1
  Rh  Rh3  2  0.0000  0.5000  0.5000  1
  Rh  Rh4  2  0.5000  0.5000  0.3238  1
  Rh  Rh5  1  0.5000  0.5000  0.0000  1
]