data_[Li1Cu5Cl12]
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 [P-1]
_cell_length_a [5.8366]
_cell_length_b [6.3864]
_cell_length_c [12.9134]
_cell_angle_alpha [91.2795]
_cell_angle_beta [100.4089]
_cell_angle_gamma [115.9281]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [LiCu5Cl12]
_chemical_formula_sum '[Li1 Cu5 Cl12]'
_cell_volume [422.9640]
_cell_formula_units_Z [1]
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  0.0000  0.0000  0.0000  1
  Cu  Cu1  2  0.1660  0.3330  0.5000  1
  Cu  Cu2  2  0.3333  0.6594  0.0006  1
  Cu  Cu3  1  0.5000  0.0000  0.5000  1
  Cl  Cl4  2  0.0435  0.6413  0.1019  1
  Cl  Cl5  2  0.1662  0.0377  0.3900  1
  Cl  Cl6  2  0.1664  0.6285  0.6098  1
  Cl  Cl7  2  0.3232  0.0605  0.8883  1
  Cl  Cl8  2  0.4197  0.3248  0.1137  1
  Cl  Cl9  2  0.4999  0.7048  0.3907  1
]