data_[K4Tm4Cu4Cl20]
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 [C2/c]
_cell_length_a [8.6613]
_cell_length_b [11.7192]
_cell_length_c [9.8433]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.9361]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [KTmCuCl5]
_chemical_formula_sum '[K4 Tm4 Cu4 Cl20]'
_cell_volume [920.1304]
_cell_formula_units_Z [4]
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  0.3492  0.2500  1.0
  Tm  Tm1  4  0.0000  0.0000  0.0000  1.0
  Cu  Cu2  4  0.0000  0.3097  0.7500  1.0
  Cl  Cl3  8  0.1081  0.2014  0.6098  1.0
  Cl  Cl4  8  0.1906  0.4336  0.9267  1.0
  Cl  Cl5  4  0.0000  0.0787  0.2500  1.0
]