data_[Li3Ca6Ga9Cu36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ca  1.0000  1.8000  1.1400
  Ga  1.8100  1.3000  0.7600
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [6.1323]
_cell_length_b [6.1323]
_cell_length_c [27.9917]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [LiCa2(GaCu4)3]
_chemical_formula_sum '[Li3 Ca6 Ga9 Cu36]'
_cell_volume [911.5943]
_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  0.0000  1
  Ca  Ca1  6  0.0000  0.0000  0.3503  1
  Ga  Ga2  9  0.0000  0.5000  0.5000  1
  Cu  Cu3  18  0.0588  0.5294  0.5953  1
  Cu  Cu4  18  0.0687  0.5344  0.1150  1
]