data_[Pr4Ni12Ge8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Ni  1.9100  1.3500  0.7400
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.0974]
_cell_length_b [3.9216]
_cell_length_c [7.1702]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.0533]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PrNi3Ge2]
_chemical_formula_sum '[Pr4 Ni12 Ge8]'
_cell_volume [384.5776]
_cell_formula_units_Z [4]
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  0.1528  0.0000  0.0703  1.0
  Ni  Ni1  4  0.0369  0.0000  0.3756  1.0
  Ni  Ni2  4  0.0881  0.5000  0.6548  1.0
  Ni  Ni3  4  0.1853  0.5000  0.4468  1.0
  Ge  Ge4  4  0.0218  0.5000  0.1917  1.0
  Ge  Ge5  4  0.1870  0.0000  0.6680  1.0
]