data_[Tm16Cu2Bi4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Cu  1.9000  1.3500  0.8200
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.8206]
_cell_length_b [5.0702]
_cell_length_c [6.7495]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.6956]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tm8CuBi2]
_chemical_formula_sum '[Tm16 Cu2 Bi4]'
_cell_volume [609.1784]
_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  0.0279  0.0000  0.7557  1.0
  Tm  Tm1  4  0.0896  0.5000  0.4276  1.0
  Tm  Tm2  4  0.1497  0.5000  0.9042  1.0
  Tm  Tm3  4  0.2125  0.0000  0.6329  1.0
  Cu  Cu4  2  0.0000  0.5000  0.0000  1.0
  Bi  Bi5  4  0.1678  0.0000  0.1704  1.0
]