data_[Tm8Zn4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Zn  1.6500  1.3500  0.8800
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.6668]
_cell_length_b [4.9448]
_cell_length_c [8.9706]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Tm2Zn]
_chemical_formula_sum '[Tm8 Zn4]'
_cell_volume [295.7264]
_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  0.0181  0.7500  0.3059  1.0
  Tm  Tm1  4  0.1674  0.7500  0.9256  1.0
  Zn  Zn2  4  0.2276  0.7500  0.6012  1.0
]