data_[Cu4B4Rh12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  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 [8.8615]
_cell_length_b [4.1988]
_cell_length_c [7.4066]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.2142]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CuBRh3]
_chemical_formula_sum '[Cu4 B4 Rh12]'
_cell_volume [253.2676]
_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
[
  Cu  Cu0  4  0.1058  0.5000  0.4286  1.0
  B  B1  4  0.1081  0.0000  0.9372  1.0
  Rh  Rh2  4  0.1286  0.5000  0.9302  1.0
  Rh  Rh3  4  0.1325  0.0000  0.6631  1.0
  Rh  Rh4  4  0.1396  0.0000  0.2332  1.0
]