data_[Cs6Pr4Zr2Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Pr  1.1300  1.8500  1.0600
  Zr  1.3300  1.5500  0.8600
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.8826]
_cell_length_b [13.6550]
_cell_length_c [9.3545]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.3827]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs3Pr2ZrTe6]
_chemical_formula_sum '[Cs6 Pr4 Zr2 Te12]'
_cell_volume [965.9987]
_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
[
  Cs  Cs0  4  0.0000  0.1730  0.5000  1.0
  Cs  Cs1  2  0.0000  0.5000  0.5000  1.0
  Pr  Pr2  4  0.0000  0.3341  0.0000  1.0
  Zr  Zr3  2  0.0000  0.0000  0.0000  1.0
  Te  Te4  8  0.2201  0.8437  0.1921  1.0
  Te  Te5  4  0.2468  0.0000  0.8052  1.0
]