data_[Pr4Cu6Ge6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Cu  1.9000  1.3500  0.8200
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.2257]
_cell_length_b [4.2982]
_cell_length_c [17.1973]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Pr2(CuGe)3]
_chemical_formula_sum '[Pr4 Cu6 Ge6]'
_cell_volume [312.3566]
_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  2  0.0000  0.0000  0.6343  1.0
  Pr  Pr1  2  0.5000  0.0000  0.8469  1.0
  Cu  Cu2  2  0.0000  0.0000  0.4168  1.0
  Cu  Cu3  2  0.0000  0.0000  0.9958  1.0
  Cu  Cu4  2  0.5000  0.0000  0.2116  1.0
  Ge  Ge5  2  0.0000  0.0000  0.2760  1.0
  Ge  Ge6  2  0.5000  0.0000  0.0726  1.0
  Ge  Ge7  2  0.5000  0.0000  0.4857  1.0
]