data_[Tl4Rh40]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.5109]
_cell_length_b [3.8177]
_cell_length_c [32.1885]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0120]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TlRh10]
_chemical_formula_sum '[Tl4 Rh40]'
_cell_volume [1045.8797]
_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
[
  Tl  Tl0  4  0.1479  0.0000  0.7085  1
  Rh  Rh1  4  0.0485  0.5000  0.7745  1
  Rh  Rh2  4  0.0495  0.0000  0.1724  1
  Rh  Rh3  4  0.0503  0.0000  0.9074  1
  Rh  Rh4  4  0.0503  0.5000  0.0399  1
  Rh  Rh5  4  0.1488  0.5000  0.1196  1
  Rh  Rh6  4  0.1498  0.0000  0.9869  1
  Rh  Rh7  4  0.1505  0.0000  0.2518  1
  Rh  Rh8  4  0.1514  0.5000  0.8538  1
  Rh  Rh9  4  0.2492  0.5000  0.2003  1
  Rh  Rh10  4  0.2499  0.5000  0.9336  1
]