data_[Tm1Ti2Ge2Sb1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Ti  1.5400  1.4000  0.8517
  Ge  2.0100  1.2500  0.7700
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [4.0634]
_cell_length_b [4.0634]
_cell_length_c [7.5867]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [99]
_chemical_formula_structural [TmTi2Ge2Sb]
_chemical_formula_sum '[Tm1 Ti2 Ge2 Sb1]'
_cell_volume [125.2680]
_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  0.5000  0.5000  0.6532  1
  Ti  Ti1  2  0.0000  0.5000  0.0051  1
  Ge  Ge2  1  0.0000  0.0000  0.7741  1
  Ge  Ge3  1  0.5000  0.5000  0.2599  1
  Sb  Sb4  1  0.0000  0.0000  0.3025  1
]