data_[B4Pd4Rh6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  B  2.0400  0.8500  0.4100
  Pd  2.2000  1.4000  0.8462
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.6652]
_cell_length_b [3.1672]
_cell_length_c [6.7641]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.1098]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [B2Pd2Rh3]
_chemical_formula_sum '[B4 Pd4 Rh6]'
_cell_volume [180.9035]
_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
[
  B  B0  4  0.0981  0.5000  0.8812  1
  Pd  Pd1  4  0.1143  0.5000  0.4171  1
  Rh  Rh2  4  0.1965  0.0000  0.7970  1
  Rh  Rh3  2  0.0000  0.0000  0.0000  1
]