data_[Rb2Tm1Sc1S4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Tm  1.2500  1.7500  1.0950
  Sc  1.3600  1.6000  0.8850
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [3.9326]
_cell_length_b [3.9326]
_cell_length_c [15.2598]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Rb2TmScS4]
_chemical_formula_sum '[Rb2 Tm1 Sc1 S4]'
_cell_volume [204.3796]
_cell_formula_units_Z [1]
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  2  0.3333  0.6667  0.7536  1
  Tm  Tm1  1  0.0000  0.0000  0.5000  1
  Sc  Sc2  1  0.0000  0.0000  0.0000  1
  S  S3  2  0.3333  0.6667  0.0897  1
  S  S4  2  0.3333  0.6667  0.4025  1
]