data_[Rh6Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rh  2.2800  1.3500  0.7450
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [11.7905]
_cell_length_b [4.1367]
_cell_length_c [4.7717]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [RhSe]
_chemical_formula_sum '[Rh6 Se6]'
_cell_volume [232.7328]
_cell_formula_units_Z [6]
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
[
  Rh  Rh0  4  0.1946  0.1396  0.2747  1
  Rh  Rh1  2  0.0000  0.3604  0.5574  1
  Se  Se2  4  0.1809  0.3489  0.7936  1
  Se  Se3  2  0.0000  0.8661  0.3081  1
]