data_[Cs6Tm4In2S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Tm  1.2500  1.7500  1.0950
  In  1.7800  1.5500  0.9400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.9988]
_cell_length_b [12.1221]
_cell_length_c [8.3732]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.1908]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs3Tm2InS6]
_chemical_formula_sum '[Cs6 Tm4 In2 S12]'
_cell_volume [682.2099]
_cell_formula_units_Z [2]
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
[
  Cs  Cs0  4  0.0000  0.1670  0.5000  1.0
  Cs  Cs1  2  0.0000  0.5000  0.5000  1.0
  Tm  Tm2  4  0.0000  0.3334  0.0000  1.0
  In  In3  2  0.0000  0.0000  0.0000  1.0
  S  S4  8  0.2251  0.1654  0.1791  1.0
  S  S5  4  0.2290  0.5000  0.1796  1.0
]