data_[Pr16Te6As8]
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
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.4098]
_cell_length_b [12.4361]
_cell_length_c [8.7473]
_cell_angle_alpha [90.0000]
_cell_angle_beta [134.6374]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr8Te3As4]
_chemical_formula_sum '[Pr16 Te6 As8]'
_cell_volume [960.6000]
_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  0.0000  0.2393  0.5000  1.0
  Pr  Pr1  4  0.0000  0.2412  0.0000  1.0
  Pr  Pr2  4  0.2293  0.0000  0.4778  1.0
  Pr  Pr3  4  0.2378  0.0000  0.9841  1.0
  Te  Te4  4  0.2500  0.2500  0.5000  1.0
  Te  Te5  2  0.0000  0.5000  0.5000  1.0
  As  As6  4  0.2500  0.2500  0.0000  1.0
  As  As7  2  0.0000  0.0000  0.0000  1.0
  As  As8  2  0.0000  0.0000  0.5000  1.0
]