data_[Pr10Ge2Te10]
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
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.2570]
_cell_length_b [6.3455]
_cell_length_c [8.9648]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.6432]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr5GeTe5]
_chemical_formula_sum '[Pr10 Ge2 Te10]'
_cell_volume [768.4595]
_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  0.1573  0.0000  0.8373  1.0
  Pr  Pr1  4  0.1581  0.0000  0.3212  1.0
  Pr  Pr2  2  0.0000  0.5000  0.0000  1.0
  Ge  Ge3  2  0.0000  0.0000  0.0000  1.0
  Te  Te4  4  0.1649  0.5000  0.8276  1.0
  Te  Te5  4  0.1700  0.5000  0.3354  1.0
  Te  Te6  2  0.0000  0.0000  0.5000  1.0
]