data_[K2Tm2In2Se6]
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
  In  1.7800  1.5500  0.9400
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.6234]
_cell_length_b [4.0666]
_cell_length_c [11.2590]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.4677]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KTmInSe3]
_chemical_formula_sum '[K2 Tm2 In2 Se6]'
_cell_volume [376.6202]
_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  0.2263  0.2500  0.2609  1.0
  Tm  Tm1  2  0.3572  0.7500  0.8548  1.0
  In  In2  2  0.1350  0.2500  0.5793  1.0
  Se  Se3  2  0.1091  0.2500  0.8085  1.0
  Se  Se4  2  0.3478  0.7500  0.5905  1.0
  Se  Se5  2  0.4075  0.7500  0.1121  1.0
]