data_[Pr12Ge4Te2As6]
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
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.9952]
_cell_length_b [4.2944]
_cell_length_c [8.7905]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.6184]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr6Ge2TeAs3]
_chemical_formula_sum '[Pr12 Ge4 Te2 As6]'
_cell_volume [696.9154]
_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  0.0008  0.0000  0.2658  1.0
  Pr  Pr1  4  0.1664  0.5000  0.5869  1.0
  Pr  Pr2  4  0.1718  0.5000  0.0840  1.0
  Ge  Ge3  4  0.1669  0.0000  0.3340  1.0
  Te  Te4  2  0.0000  0.5000  0.0000  1.0
  As  As5  4  0.1641  0.0000  0.8333  1.0
  As  As6  2  0.0000  0.5000  0.5000  1.0
]