data_[Tm20Ge4Bi8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Ge  2.0100  1.2500  0.7700
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [5.6591]
_cell_length_b [15.0061]
_cell_length_c [13.2650]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Tm5GeBi2]
_chemical_formula_sum '[Tm20 Ge4 Bi8]'
_cell_volume [1126.4822]
_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  0.0000  0.0776  0.1144  1
  Tm  Tm1  8  0.0000  0.3064  0.0491  1
  Tm  Tm2  4  0.0000  0.2955  0.7500  1
  Ge  Ge3  4  0.0000  0.2164  0.2500  1
  Bi  Bi4  8  0.0000  0.1298  0.6059  1
]