data_[Li4Ga4Cl12]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.3206]
_cell_length_b [10.0044]
_cell_length_c [7.7935]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.8182]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [LiGaCl3]
_chemical_formula_sum '[Li4 Ga4 Cl12]'
_cell_volume [490.2715]
_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  2  0.0000  0.0000  0.5000  1.0
  Li  Li1  2  0.5000  0.0000  0.0000  1.0
  Ga  Ga2  2  0.0271  0.7500  0.0511  1.0
  Ga  Ga3  2  0.1343  0.7500  0.7629  1.0
  Cl  Cl4  4  0.1719  0.5708  0.1988  1.0
  Cl  Cl5  4  0.3309  0.5703  0.6980  1.0
  Cl  Cl6  2  0.1207  0.2500  0.4627  1.0
  Cl  Cl7  2  0.3290  0.2500  0.9311  1.0
]