data_[Pr12Ge4Te2Cl6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Ge  2.0100  1.2500  0.7700
  Te  2.1000  1.4000  1.2933
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.6142]
_cell_length_b [4.3713]
_cell_length_c [8.5091]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.3219]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr6Ge2TeCl3]
_chemical_formula_sum '[Pr12 Ge4 Te2 Cl6]'
_cell_volume [681.1632]
_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  0.0126  0.0000  0.2759  1.0
  Pr  Pr1  4  0.1698  0.5000  0.5750  1.0
  Pr  Pr2  4  0.1756  0.5000  0.1128  1.0
  Ge  Ge3  4  0.1689  0.0000  0.3368  1.0
  Te  Te4  2  0.0000  0.5000  0.0000  1.0
  Cl  Cl5  4  0.1613  0.0000  0.8351  1.0
  Cl  Cl6  2  0.0000  0.5000  0.5000  1.0
]