data_[Tm16In4Cu2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  In  1.7800  1.5500  0.9400
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.2612]
_cell_length_b [5.0614]
_cell_length_c [6.6325]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.9494]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tm8In2Cu]
_chemical_formula_sum '[Tm16 In4 Cu2]'
_cell_volume [597.4250]
_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
[
  Tm  Tm0  4  0.0163  0.0000  0.7720  1.0
  Tm  Tm1  4  0.0921  0.5000  0.4548  1.0
  Tm  Tm2  4  0.1472  0.5000  0.9714  1.0
  Tm  Tm3  4  0.2054  0.0000  0.2963  1.0
  In  In4  4  0.1881  0.0000  0.7472  1.0
  Cu  Cu5  2  0.0000  0.5000  0.0000  1.0
]