data_[Ga4As4S4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ga  1.8100  1.3000  0.7600
  As  2.1800  1.1500  0.6600
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.9985]
_cell_length_b [3.6476]
_cell_length_c [7.2724]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.5315]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [GaAsS]
_chemical_formula_sum '[Ga4 As4 S4]'
_cell_volume [324.9692]
_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
[
  Ga  Ga0  4  0.1957  0.5000  0.6210  1.0
  As  As1  4  0.1793  0.5000  0.9473  1.0
  S  S2  4  0.1260  0.0000  0.4109  1.0
]