data_[Rb4Tm4Zn4S12]
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
  Zn  1.6500  1.3500  0.8800
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.2833]
_cell_length_b [4.0295]
_cell_length_c [8.5854]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.5088]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [RbTmZnS3]
_chemical_formula_sum '[Rb4 Tm4 Zn4 S12]'
_cell_volume [585.8866]
_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  0.1486  0.0000  0.0683  1
  Tm  Tm1  4  0.1664  0.0000  0.5675  1
  Zn  Zn2  4  0.0214  0.5000  0.7360  1
  S  S3  4  0.1579  0.5000  0.7726  1
  S  S4  4  0.1741  0.5000  0.3660  1
  S  S5  2  0.0000  0.0000  0.5000  1
  S  S6  2  0.0000  0.5000  0.0000  1
]