data_[Li4Y12Ga12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Y  1.2200  1.8000  1.0400
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.8433]
_cell_length_b [4.3737]
_cell_length_c [14.3826]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.3391]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li(YGa)3]
_chemical_formula_sum '[Li4 Y12 Ga12]'
_cell_volume [639.5670]
_cell_formula_units_Z [4]
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  0.2432  0.0000  0.4042  1
  Y  Y1  4  0.0347  0.5000  0.3799  1
  Y  Y2  4  0.1034  0.5000  0.9235  1
  Y  Y3  4  0.2422  0.5000  0.2221  1
  Ga  Ga4  4  0.0321  0.0000  0.2299  1
  Ga  Ga5  4  0.1111  0.0000  0.0748  1
  Ga  Ga6  4  0.1235  0.0000  0.5517  1
]