data_[Pr12Te2Rh4Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  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 [18.9016]
_cell_length_b [4.2251]
_cell_length_c [8.8073]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.8390]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr6TeRh2Se3]
_chemical_formula_sum '[Pr12 Te2 Rh4 Se6]'
_cell_volume [679.8967]
_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
[
  Pr  Pr0  4  0.0105  0.0000  0.2703  1.0
  Pr  Pr1  4  0.1730  0.5000  0.5770  1.0
  Pr  Pr2  4  0.1756  0.5000  0.1128  1.0
  Te  Te3  2  0.0000  0.5000  0.0000  1.0
  Rh  Rh4  4  0.1698  0.0000  0.3391  1.0
  Se  Se5  4  0.1588  0.0000  0.8392  1.0
  Se  Se6  2  0.0000  0.5000  0.5000  1.0
]