data_[Pr2Zn1Ge3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Zn  1.6500  1.3500  0.8800
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [4.2234]
_cell_length_b [4.3424]
_cell_length_c [7.3958]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Pr2ZnGe3]
_chemical_formula_sum '[Pr2 Zn1 Ge3]'
_cell_volume [135.6358]
_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  0.5058  1.0
  Pr  Pr1  1  0.0000  0.5000  0.9941  1.0
  Zn  Zn2  1  0.5000  0.5000  0.3276  1.0
  Ge  Ge3  1  0.5000  0.0000  0.1757  1.0
  Ge  Ge4  1  0.5000  0.0000  0.8362  1.0
  Ge  Ge5  1  0.5000  0.5000  0.6606  1.0
]