data_[Pr12In2Ge4Te6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  In  1.7800  1.5500  0.9400
  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 [19.6376]
_cell_length_b [4.4297]
_cell_length_c [9.0919]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.7016]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr6InGe2Te3]
_chemical_formula_sum '[Pr12 In2 Ge4 Te6]'
_cell_volume [765.0039]
_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  0.0068  0.0000  0.2571  1
  Pr  Pr1  4  0.1687  0.5000  0.1017  1
  Pr  Pr2  4  0.1726  0.5000  0.5680  1
  In  In3  2  0.0000  0.5000  0.0000  1
  Ge  Ge4  4  0.1670  0.0000  0.3328  1
  Te  Te5  4  0.1648  0.0000  0.8313  1
  Te  Te6  2  0.0000  0.5000  0.5000  1
]