data_[Te2Rh2Se8]
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 [P2_1/m]
_cell_length_a [13.3450]
_cell_length_b [3.7966]
_cell_length_c [18.4234]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [TeRhSe4]
_chemical_formula_sum '[Te2 Rh2 Se8]'
_cell_volume [933.4359]
_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  0.1295  0.7500  0.4959  1
  Rh  Rh1  2  0.3769  0.2500  0.4982  1
  Se  Se2  2  0.0591  0.2500  0.5929  1
  Se  Se3  2  0.2304  0.2500  0.4138  1
  Se  Se4  2  0.3028  0.7500  0.5708  1
  Se  Se5  2  0.4622  0.7500  0.4335  1
]