data_[Li6Ga2Cu2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ga  1.8100  1.3000  0.7600
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.1258]
_cell_length_b [4.3003]
_cell_length_c [6.7586]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.1774]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Li3GaCu]
_chemical_formula_sum '[Li6 Ga2 Cu2]'
_cell_volume [145.0539]
_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  2  0.0561  0.7500  0.3365  1
  Li  Li1  2  0.2416  0.7500  0.7446  1
  Li  Li2  2  0.4406  0.7500  0.1463  1
  Ga  Ga3  2  0.3553  0.2500  0.4391  1
  Cu  Cu4  2  0.1295  0.2500  0.0624  1
]