data_[Li2In2Cu2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  In  1.7800  1.5500  0.9400
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [4.4408]
_cell_length_b [4.4408]
_cell_length_c [5.6678]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [LiInCu]
_chemical_formula_sum '[Li2 In2 Cu2]'
_cell_volume [96.7970]
_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  1  0.3333  0.6667  0.9569  1.0
  Li  Li1  1  0.6667  0.3333  0.7834  1.0
  In  In2  1  0.0000  0.0000  0.6194  1.0
  In  In3  1  0.6667  0.3333  0.2649  1.0
  Cu  Cu4  1  0.0000  0.0000  0.1037  1.0
  Cu  Cu5  1  0.3333  0.6667  0.4536  1.0
]