data_[Li24Ca8Ga8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ca  1.0000  1.8000  1.1400
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [13.9330]
_cell_length_b [10.2618]
_cell_length_c [6.4729]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.5285]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Li3CaGa]
_chemical_formula_sum '[Li24 Ca8 Ga8]'
_cell_volume [899.8036]
_cell_formula_units_Z [8]
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  8  0.1797  0.1681  0.5719  1.0
  Li  Li1  8  0.1944  0.1726  0.1060  1.0
  Li  Li2  8  0.1982  0.4962  0.1058  1.0
  Ca  Ca3  4  0.0000  0.0635  0.7500  1.0
  Ca  Ca4  4  0.0000  0.3623  0.2500  1.0
  Ga  Ga5  8  0.0938  0.3422  0.8006  1.0
]