data_[Pr8Be8Ge12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Be  1.5700  1.0500  0.5900
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.0349]
_cell_length_b [19.4144]
_cell_length_c [7.0335]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Pr2Be2Ge3]
_chemical_formula_sum '[Pr8 Be8 Ge12]'
_cell_volume [550.9672]
_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  0.0000  0.0441  0.2500  1
  Pr  Pr1  4  0.0000  0.1756  0.7500  1
  Be  Be2  8  0.0000  0.3391  0.6007  1
  Ge  Ge3  8  0.0000  0.4346  0.0736  1
  Ge  Ge4  4  0.0000  0.2028  0.2500  1
]