data_[Li4Ca6Ga18]
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 [Immm]
_cell_length_a [4.4042]
_cell_length_b [9.6100]
_cell_length_c [12.9079]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Li2(CaGa3)3]
_chemical_formula_sum '[Li4 Ca6 Ga18]'
_cell_volume [546.3218]
_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  0.1865  0.5000  1.0
  Ca  Ca1  4  0.0000  0.0000  0.3012  1.0
  Ca  Ca2  2  0.0000  0.0000  0.0000  1.0
  Ga  Ga3  8  0.0000  0.2801  0.1413  1.0
  Ga  Ga4  8  0.0000  0.3647  0.3410  1.0
  Ga  Ga5  2  0.0000  0.5000  0.0000  1.0
]