data_[Rb4Sc4Sn4S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Sc  1.3600  1.6000  0.8850
  Sn  1.9600  1.4500  0.8300
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.7698]
_cell_length_b [16.8054]
_cell_length_c [11.1271]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [RbScSnS3]
_chemical_formula_sum '[Rb4 Sc4 Sn4 S12]'
_cell_volume [704.9328]
_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  0.0000  0.3150  0.2500  1
  Sc  Sc1  4  0.0000  0.0000  0.0000  1
  Sn  Sn2  4  0.0000  0.3866  0.7500  1
  S  S3  8  0.0000  0.3967  0.5029  1
  S  S4  4  0.0000  0.0065  0.2500  1
]