data_[Th2Sn2Rh6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  Sn  1.9600  1.4500  0.8300
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [Pbam]
_cell_length_a [5.3233]
_cell_length_b [7.7499]
_cell_length_c [5.1740]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [55]
_chemical_formula_structural [ThSnRh3]
_chemical_formula_sum '[Th2 Sn2 Rh6]'
_cell_volume [213.4518]
_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  2  0.0000  0.0000  0.5000  1
  Sn  Sn1  2  0.0000  0.5000  0.0000  1
  Rh  Rh2  4  0.0507  0.1711  0.0000  1
  Rh  Rh3  2  0.0000  0.5000  0.5000  1
]