data_[Th1B2Pt1Rh5]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  B  2.0400  0.8500  0.4100
  Pt  2.2800  1.3500  0.8050
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.2241]
_cell_length_b [4.2241]
_cell_length_c [7.6240]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [ThB2PtRh5]
_chemical_formula_sum '[Th1 B2 Pt1 Rh5]'
_cell_volume [136.0332]
_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  1  0.0000  0.0000  0.5000  1
  B  B1  2  0.5000  0.5000  0.2074  1
  Rh  Rh2  4  0.0000  0.5000  0.2213  1
  Pt  Pt3  1  0.0000  0.0000  0.0000  1
  Rh  Rh4  1  0.5000  0.5000  0.5000  1
]