data_[La4Pr12Ge8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Pr  1.1300  1.8500  1.0600
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.0052]
_cell_length_b [4.5362]
_cell_length_c [9.6574]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.4389]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LaPr3Ge2]
_chemical_formula_sum '[La4 Pr12 Ge8]'
_cell_volume [718.1017]
_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
[
  La  La0  4  0.1154  0.0000  0.1316  1.0
  Pr  Pr1  4  0.0490  0.0000  0.6967  1.0
  Pr  Pr2  4  0.1519  0.5000  0.4743  1.0
  Pr  Pr3  4  0.1912  0.5000  0.8838  1.0
  Ge  Ge4  4  0.0077  0.5000  0.8685  1.0
  Ge  Ge5  4  0.2380  0.0000  0.7125  1.0
]