data_LiGaS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.6
_cell_length_b   7.94
_cell_length_c   6.3
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiGaS2
_chemical_formula_sum   'Li4 Ga4 S8'
_cell_volume   329.9
_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  1  0.86  0.97  0.9  1.0
  Li  Li1  1  0.03  0.94  0.75  1.0
  Li  Li2  1  0.56  1.0  0.9  1.0
  Li  Li3  1  0.74  0.97  0.75  1.0
  Ga  Ga4  1  0.78  0.97  0.92  1.0
  Ga  Ga5  1  0.82  0.97  0.77  1.0
  Ga  Ga6  1  0.11  1.0  0.77  1.0
  Ga  Ga7  1  0.48  0.94  0.92  1.0
  S  S8  1  0.44  0.01  0.23  1.0
  S  S9  1  0.74  0.89  0.23  1.0
  S  S10  1  0.15  0.93  0.08  1.0
  S  S11  1  0.86  0.04  0.08  1.0
  S  S12  1  0.97  0.05  0.2  1.0
  S  S13  1  0.62  0.89  0.05  1.0
  S  S14  1  0.92  0.08  0.05  1.0
  S  S15  1  0.68  0.86  0.2  1.0

data_LiGaS2
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.3
_cell_length_b   6.6
_cell_length_c   7.94
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiGaS2
_chemical_formula_sum   'Li4 Ga4 S8'
_cell_volume   329.9
_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  1  0.75  0.03  0.94  1.0
  Li  Li1  1  0.75  0.74  0.97  1.0
  Li  Li2  1  0.9  0.56  1.0  1.0
  Li  Li3  1  0.9  0.86  0.97  1.0
  Ga  Ga4  1  0.77  0.11  1.0  1.0
  Ga  Ga5  1  0.77  0.82  0.97  1.0
  Ga  Ga6  1  0.92  0.48  0.94  1.0
  Ga  Ga7  1  0.92  0.78  0.97  1.0
  S  S8  1  0.05  0.62  0.89  1.0
  S  S9  1  0.05  0.92  0.08  1.0
  S  S10  1  0.08  0.15  0.93  1.0
  S  S11  1  0.08  0.86  0.04  1.0
  S  S12  1  0.2  0.68  0.86  1.0
  S  S13  1  0.2  0.97  0.05  1.0
  S  S14  1  0.23  0.44  0.01  1.0
  S  S15  1  0.23  0.74  0.89  1.0

Li Li Li Li Ga Ga Ga Ga S S S S S S S S