data_[Fe8Rh4Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Fe  1.8300  1.4000  0.8525
  Rh  2.2800  1.3500  0.7450
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [11.4068]
_cell_length_b [5.9244]
_cell_length_c [5.3003]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.3636]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Fe2RhSe2]
_chemical_formula_sum '[Fe8 Rh4 Se8]'
_cell_volume [318.1044]
_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
[
  Fe  Fe0  8  0.0883  0.3700  0.0339  1
  Rh  Rh1  4  0.0000  0.0288  0.2500  1
  Se  Se2  8  0.1585  0.2453  0.6647  1
]