data_[Li12Cu3Cl15]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Cu  1.9000  1.3500  0.8200
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [3.8923]
_cell_length_b [3.8923]
_cell_length_c [47.4558]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Li4CuCl5]
_chemical_formula_sum '[Li12 Cu3 Cl15]'
_cell_volume [622.6398]
_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  0.2503  1
  Li  Li1  3  0.0000  0.0000  0.4493  1
  Li  Li2  3  0.0000  0.0000  0.6510  1
  Li  Li3  3  0.0000  0.0000  0.8498  1
  Cu  Cu4  3  0.0000  0.0000  0.0502  1
  Cl  Cl5  3  0.0000  0.0000  0.0006  1
  Cl  Cl6  3  0.0000  0.0000  0.2000  1
  Cl  Cl7  3  0.0000  0.0000  0.3988  1
  Cl  Cl8  3  0.0000  0.0000  0.6006  1
  Cl  Cl9  3  0.0000  0.0000  0.7994  1
]