data_[Th4Zr1Rh15]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  Zr  1.3300  1.5500  0.8600
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.0889]
_cell_length_b [4.0889]
_cell_length_c [20.6157]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Th4ZrRh15]
_chemical_formula_sum '[Th4 Zr1 Rh15]'
_cell_volume [344.6753]
_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  0.1955  1
  Th  Th1  2  0.0000  0.0000  0.3983  1
  Zr  Zr2  1  0.0000  0.0000  0.0000  1
  Rh  Rh3  4  0.0000  0.5000  0.0925  1
  Rh  Rh4  4  0.0000  0.5000  0.2968  1
  Rh  Rh5  2  0.0000  0.5000  0.5000  1
  Rh  Rh6  2  0.5000  0.5000  0.1946  1
  Rh  Rh7  2  0.5000  0.5000  0.3986  1
  Rh  Rh8  1  0.5000  0.5000  0.0000  1
]