data_[Ni4B8Rh12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ni  1.9100  1.3500  0.7400
  B  2.0400  0.8500  0.4100
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.0717]
_cell_length_b [3.2536]
_cell_length_c [7.7582]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.1682]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NiB2Rh3]
_chemical_formula_sum '[Ni4 B8 Rh12]'
_cell_volume [278.0063]
_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
[
  Ni  Ni0  4  0.0596  0.5000  0.6658  1
  B  B1  4  0.1224  0.5000  0.3898  1
  B  B2  4  0.1391  0.0000  0.8338  1
  Rh  Rh3  4  0.0503  0.0000  0.1990  1
  Rh  Rh4  4  0.1669  0.5000  0.0285  1
  Rh  Rh5  4  0.1930  0.0000  0.5841  1
]