data_[Li4Pr4Cu8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Pr  1.1300  1.8500  1.0600
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.0419]
_cell_length_b [3.9836]
_cell_length_c [11.2957]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [LiPrCu2]
_chemical_formula_sum '[Li4 Pr4 Cu8]'
_cell_volume [316.8708]
_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
[
  Li  Li0  4  0.0994  0.2500  0.5502  1.0
  Pr  Pr1  4  0.1200  0.2500  0.8549  1.0
  Cu  Cu2  4  0.0515  0.2500  0.3219  1.0
  Cu  Cu3  4  0.2127  0.2500  0.1306  1.0
]