data_[Pr6Be4Ge8]
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 [C2/m]
_cell_length_a [11.2458]
_cell_length_b [4.1098]
_cell_length_c [8.5213]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.9692]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr3(BeGe2)2]
_chemical_formula_sum '[Pr6 Be4 Ge8]'
_cell_volume [372.4554]
_cell_formula_units_Z [2]
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  0.1179  0.5000  0.6856  1
  Pr  Pr1  2  0.0000  0.0000  0.0000  1
  Be  Be2  4  0.1854  0.5000  0.3365  1
  Ge  Ge3  4  0.1148  0.0000  0.3974  1
  Ge  Ge4  4  0.2166  0.5000  0.0692  1
]