data_[Li4Ga4Se8]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [14.8201]
_cell_length_b [4.0056]
_cell_length_c [7.1891]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.1595]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [LiGaSe2]
_chemical_formula_sum '[Li4 Ga4 Se8]'
_cell_volume [383.0551]
_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  0.1315  0.0000  0.9484  1.0
  Li  Li1  2  0.3878  0.5000  0.0523  1.0
  Ga  Ga2  2  0.1299  0.5000  0.4548  1.0
  Ga  Ga3  2  0.3761  0.0000  0.4896  1.0
  Se  Se4  2  0.0598  0.5000  0.7050  1.0
  Se  Se5  2  0.0766  0.0000  0.2365  1.0
  Se  Se6  2  0.3170  0.0000  0.1307  1.0
  Se  Se7  2  0.3197  0.5000  0.6362  1.0
]