data_[Te4Rh6Se4]
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 [C2/m]
_cell_length_a [13.0778]
_cell_length_b [3.9261]
_cell_length_c [6.5998]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.2441]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Te2Rh3Se2]
_chemical_formula_sum '[Te4 Rh6 Se4]'
_cell_volume [292.7353]
_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  4  0.1337  0.5000  0.2956  1
  Rh  Rh1  4  0.2361  0.5000  0.7658  1
  Rh  Rh2  2  0.0000  0.0000  0.0000  1
  Se  Se3  4  0.1249  0.0000  0.7988  1
]