data_[Sm1Lu1Ti2Ge2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Lu  1.2700  1.7500  1.0010
  Ti  1.5400  1.4000  0.8517
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [4.0521]
_cell_length_b [4.0521]
_cell_length_c [7.7073]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [99]
_chemical_formula_structural [SmLu(TiGe)2]
_chemical_formula_sum '[Sm1 Lu1 Ti2 Ge2]'
_cell_volume [126.5497]
_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
[
  Sm  Sm0  1  0.5000  0.5000  0.3488  1
  Lu  Lu1  1  0.0000  0.0000  0.6657  1
  Ti  Ti2  2  0.0000  0.5000  0.9962  1
  Ge  Ge3  1  0.0000  0.0000  0.2369  1
  Ge  Ge4  1  0.5000  0.5000  0.7562  1
]