data_[Ga4S4Cl4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ga  1.8100  1.3000  0.7600
  S  2.5800  1.0000  0.8800
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.4574]
_cell_length_b [3.7066]
_cell_length_c [6.9596]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.3835]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [GaSCl]
_chemical_formula_sum '[Ga4 S4 Cl4]'
_cell_volume [344.8495]
_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  0.1755  0.5000  0.5475  1.0
  S  S1  4  0.1489  0.0000  0.3282  1.0
  Cl  Cl2  4  0.1105  0.5000  0.7783  1.0
]