data_[K6Tm4Mn2S12]
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
  Mn  1.5500  1.4000  0.6483
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.8958]
_cell_length_b [11.5200]
_cell_length_c [7.7209]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.1902]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K3Tm2MnS6]
_chemical_formula_sum '[K6 Tm4 Mn2 S12]'
_cell_volume [582.6955]
_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  4  0.0000  0.1702  0.5000  1
  K  K1  2  0.0000  0.5000  0.5000  1
  Tm  Tm2  4  0.0000  0.3370  0.0000  1
  Mn  Mn3  2  0.0000  0.0000  0.0000  1
  S  S4  8  0.2142  0.1531  0.1854  1
  S  S5  4  0.2326  0.5000  0.2109  1
]