data_[Li9Pa3Cu24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Pa  1.5000  1.8000  1.0400
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.9784]
_cell_length_b [4.9784]
_cell_length_c [24.3008]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Li3PaCu8]
_chemical_formula_sum '[Li9 Pa3 Cu24]'
_cell_volume [521.6002]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.5109  1
  Li  Li1  3  0.0000  0.0000  0.6274  1
  Li  Li2  3  0.0000  0.0000  0.9942  1
  Pa  Pa3  3  0.0000  0.0000  0.1240  1
  Cu  Cu4  9  0.0004  0.5002  0.5627  1
  Cu  Cu5  9  0.0012  0.5006  0.0603  1
  Cu  Cu6  3  0.0000  0.0000  0.3113  1
  Cu  Cu7  3  0.0000  0.0000  0.8131  1
]