data_[Li10Ga10Cu4]
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 [C2/m]
_cell_length_a [8.0556]
_cell_length_b [4.4289]
_cell_length_c [10.5418]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.5842]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li5Ga5Cu2]
_chemical_formula_sum '[Li10 Ga10 Cu4]'
_cell_volume [368.4426]
_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  4  0.0955  0.5000  0.3011  1
  Li  Li1  4  0.1723  0.5000  0.0205  1
  Li  Li2  2  0.0000  0.0000  0.5000  1
  Ga  Ga3  4  0.0945  0.0000  0.7729  1
  Ga  Ga4  4  0.1928  0.5000  0.5671  1
  Ga  Ga5  2  0.0000  0.0000  0.0000  1
  Cu  Cu6  4  0.2266  0.0000  0.1975  1
]