data_[Sr4Ga8S16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Ga  1.8100  1.3000  0.7600
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cccm]
_cell_length_a [6.0728]
_cell_length_b [10.5886]
_cell_length_c [10.6479]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [66]
_chemical_formula_structural [Sr(GaS2)2]
_chemical_formula_sum '[Sr4 Ga8 S16]'
_cell_volume [684.6807]
_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
[
  Sr  Sr0  4  0.0000  0.5000  0.2500  1.0
  Ga  Ga1  8  0.0013  0.2365  0.0000  1.0
  S  S2  8  0.2301  0.4136  0.5000  1.0
  S  S3  8  0.2500  0.2500  0.1640  1.0
]