data_[Na4Tm4Cu4Cl20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  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 [8.1901]
_cell_length_b [11.6230]
_cell_length_c [9.6453]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.0917]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [NaTmCuCl5]
_chemical_formula_sum '[Na4 Tm4 Cu4 Cl20]'
_cell_volume [844.6046]
_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
[
  Na  Na0  4  0.0000  0.3725  0.7500  1.0
  Tm  Tm1  4  0.0000  0.0000  0.0000  1.0
  Cu  Cu2  4  0.0000  0.3057  0.2500  1.0
  Cl  Cl3  8  0.1402  0.1909  0.1347  1.0
  Cl  Cl4  8  0.1753  0.4331  0.4380  1.0
  Cl  Cl5  4  0.0000  0.0941  0.7500  1.0
]