data_[Tm20Mg4Bi4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Mg  1.3100  1.5000  0.8600
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.5375]
_cell_length_b [8.8627]
_cell_length_c [11.3584]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.5856]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Tm5MgBi]
_chemical_formula_sum '[Tm20 Mg4 Bi4]'
_cell_volume [831.7394]
_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  8  0.1170  0.3589  0.0292  1
  Tm  Tm1  8  0.2027  0.2094  0.3419  1
  Tm  Tm2  4  0.0000  0.1269  0.7500  1
  Mg  Mg3  4  0.0000  0.0000  0.0000  1
  Bi  Bi4  4  0.0000  0.4823  0.7500  1
]