data_[Tm4Ni3Ge1]
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 [3.8407]
_cell_length_b [4.0329]
_cell_length_c [10.2183]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Tm4Ni3Ge]
_chemical_formula_sum '[Tm4 Ni3 Ge1]'
_cell_volume [158.2688]
_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  0.1441  1.0
  Tm  Tm1  1  0.0000  0.5000  0.8534  1.0
  Tm  Tm2  1  0.5000  0.0000  0.6414  1.0
  Tm  Tm3  1  0.5000  0.5000  0.3657  1.0
  Ni  Ni4  1  0.0000  0.0000  0.4294  1.0
  Ni  Ni5  1  0.0000  0.5000  0.5695  1.0
  Ni  Ni6  1  0.5000  0.0000  0.9235  1.0
  Ge  Ge7  1  0.5000  0.5000  0.0731  1.0
]