data_[Li14Ga2Cu10]
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 [Imm2]
_cell_length_a [4.9510]
_cell_length_b [8.7758]
_cell_length_c [8.8885]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [Li7GaCu5]
_chemical_formula_sum '[Li14 Ga2 Cu10]'
_cell_volume [386.1966]
_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  0.0000  0.2892  0.0379  1.0
  Li  Li1  4  0.0000  0.3480  0.5286  1.0
  Li  Li2  2  0.0000  0.0000  0.2036  1.0
  Li  Li3  2  0.0000  0.0000  0.5665  1.0
  Li  Li4  2  0.0000  0.5000  0.8227  1.0
  Ga  Ga5  2  0.0000  0.0000  0.8837  1.0
  Cu  Cu6  8  0.2466  0.2399  0.7839  1.0
  Cu  Cu7  2  0.0000  0.5000  0.2548  1.0
]