data_[Ag4Rh4Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ag  1.9300  1.6000  1.0867
  Rh  2.2800  1.3500  0.7450
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.8587]
_cell_length_b [3.6953]
_cell_length_c [12.0434]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [AgRhSe2]
_chemical_formula_sum '[Ag4 Rh4 Se8]'
_cell_volume [349.7502]
_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
[
  Ag  Ag0  4  0.0216  0.7500  0.4030  1
  Rh  Rh1  4  0.0355  0.2500  0.1254  1
  Se  Se2  4  0.1524  0.2500  0.9364  1
  Se  Se3  4  0.2235  0.7500  0.1851  1
]