data_[Y4Al8Ga4S24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Al  1.6100  1.2500  0.6750
  Ga  1.8100  1.3000  0.7600
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [12.7535]
_cell_length_b [10.9148]
_cell_length_c [7.0344]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.1205]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [YAl2GaS6]
_chemical_formula_sum '[Y4 Al8 Ga4 S24]'
_cell_volume [900.5476]
_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
[
  Y  Y0  4  0.0000  0.1561  0.2500  1.0
  Al  Al1  8  0.1865  0.4380  0.2006  1.0
  Ga  Ga2  4  0.0000  0.1925  0.7500  1.0
  S  S3  8  0.1144  0.0607  0.6490  1.0
  S  S4  8  0.1326  0.2491  0.0611  1.0
  S  S5  8  0.1351  0.4089  0.4703  1.0
]