data_[Li6Pr4Cu4]
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 [Cmmm]
_cell_length_a [4.2627]
_cell_length_b [20.4888]
_cell_length_c [3.7318]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Li3(PrCu)2]
_chemical_formula_sum '[Li6 Pr4 Cu4]'
_cell_volume [325.9209]
_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
[
  Li  Li0  4  0.0000  0.4291  0.5000  1.0
  Li  Li1  2  0.0000  0.0000  0.0000  1.0
  Pr  Pr2  4  0.0000  0.1710  0.0000  1.0
  Cu  Cu3  4  0.0000  0.2856  0.5000  1.0
]