data_[Re4Rh12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Re  1.9000  1.3500  0.7125
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.7250]
_cell_length_b [4.5950]
_cell_length_c [5.4901]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.1031]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [ReRh3]
_chemical_formula_sum '[Re4 Rh12]'
_cell_volume [235.7051]
_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
[
  Re  Re0  4  0.1155  0.5000  0.6874  1
  Rh  Rh1  4  0.1184  0.5000  0.1786  1
  Rh  Rh2  4  0.1289  0.0000  0.9331  1
  Rh  Rh3  4  0.1399  0.0000  0.4433  1
]