data_[Y8Th4Rh12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Th  1.3000  1.8000  1.0800
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [13.9507]
_cell_length_b [5.6318]
_cell_length_c [6.9263]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.3869]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Y2ThRh3]
_chemical_formula_sum '[Y8 Th4 Rh12]'
_cell_volume [529.3969]
_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
[
  Y  Y0  8  0.1775  0.3966  0.1416  1
  Th  Th1  4  0.0000  0.1192  0.7500  1
  Rh  Rh2  8  0.1576  0.1022  0.5079  1
  Rh  Rh3  4  0.0000  0.3980  0.2500  1
]