data_[Tm16Co4Bi4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Co  1.8800  1.3500  0.7683
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.9750]
_cell_length_b [5.0254]
_cell_length_c [9.1950]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.6986]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tm4CoBi]
_chemical_formula_sum '[Tm16 Co4 Bi4]'
_cell_volume [755.1332]
_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
[
  Tm  Tm0  4  0.0068  0.0000  0.7546  1
  Tm  Tm1  4  0.1009  0.5000  0.5556  1
  Tm  Tm2  4  0.1964  0.0000  0.4125  1
  Tm  Tm3  4  0.2320  0.0000  0.8065  1
  Co  Co4  4  0.0839  0.0000  0.5509  1
  Bi  Bi5  4  0.1436  0.0000  0.0643  1
]