data_[Pr4Si2Ge5]
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 [P2/m]
_cell_length_a [7.0579]
_cell_length_b [4.3836]
_cell_length_c [8.2354]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.9001]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Pr4Si2Ge5]
_chemical_formula_sum '[Pr4 Si2 Ge5]'
_cell_volume [254.6569]
_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  2  0.2311  0.5000  0.8684  1.0
  Pr  Pr1  2  0.2482  0.5000  0.3838  1.0
  Si  Si2  2  0.0887  0.0000  0.6254  1.0
  Ge  Ge3  2  0.1220  0.0000  0.1255  1.0
  Ge  Ge4  2  0.4395  0.0000  0.6540  1.0
  Ge  Ge5  1  0.5000  0.0000  0.0000  1.0
]