data_[Pr4Si1Ge3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Si  1.9000  1.1000  0.5400
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [4.0747]
_cell_length_b [4.5223]
_cell_length_c [11.1309]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Pr4SiGe3]
_chemical_formula_sum '[Pr4 Si1 Ge3]'
_cell_volume [205.1123]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.8619  1.0
  Pr  Pr1  1  0.0000  0.5000  0.3612  1.0
  Pr  Pr2  1  0.5000  0.0000  0.1372  1.0
  Pr  Pr3  1  0.5000  0.5000  0.6407  1.0
  Si  Si4  1  0.5000  0.5000  0.9240  1.0
  Ge  Ge5  1  0.0000  0.0000  0.5794  1.0
  Ge  Ge6  1  0.0000  0.5000  0.0755  1.0
  Ge  Ge7  1  0.5000  0.0000  0.4201  1.0
]