data_[K1Tm2Cu1Cl8]
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
  Cu  1.9000  1.3500  0.8200
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.0909]
_cell_length_b [7.9103]
_cell_length_c [7.9741]
_cell_angle_alpha [80.7632]
_cell_angle_beta [87.9616]
_cell_angle_gamma [64.9609]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [KTm2CuCl8]
_chemical_formula_sum '[K1 Tm2 Cu1 Cl8]'
_cell_volume [399.7260]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.5000  1.0
  Tm  Tm1  2  0.0330  0.4758  0.7573  1.0
  Cu  Cu2  1  0.0000  0.0000  0.0000  1.0
  Cl  Cl3  2  0.1524  0.7655  0.1973  1.0
  Cl  Cl4  2  0.2213  0.2915  0.5014  1.0
  Cl  Cl5  2  0.2268  0.2896  0.0532  1.0
  Cl  Cl6  2  0.2694  0.6372  0.7277  1.0
]