data_[Te2Rh10Se16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Te  2.1000  1.4000  1.2933
  Rh  2.2800  1.3500  0.7450
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [18.9784]
_cell_length_b [3.6901]
_cell_length_c [8.5507]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.7468]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [TeRh5Se8]
_chemical_formula_sum '[Te2 Rh10 Se16]'
_cell_volume [584.0695]
_cell_formula_units_Z [2]
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
[
  Te  Te0  2  0.0011  0.5000  0.4704  1
  Rh  Rh1  2  0.0088  0.0000  0.0071  1
  Rh  Rh2  2  0.1607  0.5000  0.9763  1
  Rh  Rh3  2  0.2071  0.5000  0.3210  1
  Rh  Rh4  2  0.3040  0.0000  0.6765  1
  Rh  Rh5  2  0.3465  0.0000  0.0216  1
  Se  Se6  2  0.0734  0.5000  0.1790  1
  Se  Se7  2  0.0940  0.0000  0.8222  1
  Se  Se8  2  0.1825  0.0000  0.4978  1
  Se  Se9  2  0.2419  0.0000  0.1533  1
  Se  Se10  2  0.2678  0.5000  0.8485  1
  Se  Se11  2  0.3304  0.5000  0.5035  1
  Se  Se12  2  0.4166  0.5000  0.1778  1
  Se  Se13  2  0.4377  0.0000  0.8451  1
]