data_[Ga2Si2S1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ga  1.8100  1.3000  0.7600
  Si  1.9000  1.1000  0.5400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [3.7283]
_cell_length_b [3.7283]
_cell_length_c [8.3714]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [Ga2Si2S]
_chemical_formula_sum '[Ga2 Si2 S1]'
_cell_volume [100.7747]
_cell_formula_units_Z [1]
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
[
  Ga  Ga0  1  0.3333  0.6667  0.0159  1
  Ga  Ga1  1  0.6667  0.3333  0.7870  1
  Si  Si2  1  0.0000  0.0000  0.2361  1
  Si  Si3  1  0.3333  0.6667  0.3514  1
  S  S4  1  0.3333  0.6667  0.6206  1
]