data_[Li16Ca4Ga4]
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 [Imma]
_cell_length_a [4.6908]
_cell_length_b [12.9481]
_cell_length_c [8.1050]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [Li4CaGa]
_chemical_formula_sum '[Li16 Ca4 Ga4]'
_cell_volume [492.2726]
_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  8  0.0000  0.0682  0.6588  1.0
  Li  Li1  8  0.0000  0.1231  0.3270  1.0
  Ca  Ca2  4  0.0000  0.2500  0.9585  1.0
  Ga  Ga3  4  0.0000  0.0000  0.0000  1.0
]