data_[K2Tm10S16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Tm  1.2500  1.7500  1.0950
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [20.1927]
_cell_length_b [3.9352]
_cell_length_c [9.5274]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.9913]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [KTm5S8]
_chemical_formula_sum '[K2 Tm10 S16]'
_cell_volume [731.2960]
_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
[
  K  K0  2  0.0000  0.5000  0.5000  1
  Tm  Tm1  4  0.1548  0.5000  0.9430  1
  Tm  Tm2  4  0.2027  0.5000  0.3383  1
  Tm  Tm3  2  0.0000  0.0000  0.0000  1
  S  S4  4  0.0786  0.0000  0.8050  1
  S  S5  4  0.0795  0.5000  0.1408  1
  S  S6  4  0.1702  0.0000  0.4922  1
  S  S7  4  0.2285  0.0000  0.1435  1
]