data_[Rb4Ga4S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Ga  1.8100  1.3000  0.7600
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.5072]
_cell_length_b [12.3712]
_cell_length_c [6.6438]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.8281]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [RbGaS3]
_chemical_formula_sum '[Rb4 Ga4 S12]'
_cell_volume [601.6330]
_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
[
  Rb  Rb0  4  0.2409  0.0868  0.2210  1.0
  Ga  Ga1  4  0.3114  0.7306  0.3058  1.0
  S  S2  4  0.0606  0.6687  0.8453  1.0
  S  S3  4  0.1858  0.5827  0.1120  1.0
  S  S4  4  0.4839  0.6774  0.6159  1.0
]