data_[Li2Ce1Pr1Ge2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ce  1.1200  1.8500  1.0800
  Pr  1.1300  1.8500  1.0600
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.5319]
_cell_length_b [4.5319]
_cell_length_c [7.5402]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Li2CePrGe2]
_chemical_formula_sum '[Li2 Ce1 Pr1 Ge2]'
_cell_volume [134.1148]
_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
[
  Li  Li0  2  0.3333  0.6667  0.2597  1.0
  Ce  Ce1  1  0.0000  0.0000  0.5000  1.0
  Pr  Pr2  1  0.0000  0.0000  0.0000  1.0
  Ge  Ge3  2  0.3333  0.6667  0.7381  1.0
]