data_[Tm4Ni1Ge8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Ni  1.9100  1.3500  0.7400
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.9629]
_cell_length_b [4.0536]
_cell_length_c [15.9889]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Tm4NiGe8]
_chemical_formula_sum '[Tm4 Ni1 Ge8]'
_cell_volume [256.8467]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.1008  1
  Tm  Tm1  1  0.0000  0.5000  0.6071  1
  Tm  Tm2  1  0.5000  0.0000  0.8946  1
  Tm  Tm3  1  0.5000  0.5000  0.3961  1
  Ni  Ni4  1  0.0000  0.0000  0.3158  1
  Ge  Ge5  1  0.0000  0.0000  0.4604  1
  Ge  Ge6  1  0.0000  0.0000  0.7483  1
  Ge  Ge7  1  0.0000  0.5000  0.2381  1
  Ge  Ge8  1  0.0000  0.5000  0.9407  1
  Ge  Ge9  1  0.5000  0.0000  0.2375  1
  Ge  Ge10  1  0.5000  0.0000  0.5631  1
  Ge  Ge11  1  0.5000  0.5000  0.0466  1
  Ge  Ge12  1  0.5000  0.5000  0.7538  1
]