data_[Pr4Mg12Ge8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Mg  1.3100  1.5000  0.8600
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.5822]
_cell_length_b [4.4276]
_cell_length_c [8.3167]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.5603]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PrMg3Ge2]
_chemical_formula_sum '[Pr4 Mg12 Ge8]'
_cell_volume [536.3006]
_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  0.1451  0.0000  0.0663  1
  Mg  Mg1  4  0.0492  0.0000  0.3777  1
  Mg  Mg2  4  0.1024  0.5000  0.7008  1
  Mg  Mg3  4  0.1885  0.5000  0.4525  1
  Ge  Ge4  4  0.0155  0.5000  0.1638  1
  Ge  Ge5  4  0.2052  0.0000  0.7267  1
]