data_[Ti3Cu4Ge4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Cu  1.9000  1.3500  0.8200
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [5.9928]
_cell_length_b [3.9835]
_cell_length_c [7.2272]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.1532]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Ti3(CuGe)4]
_chemical_formula_sum '[Ti3 Cu4 Ge4]'
_cell_volume [172.5294]
_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
[
  Ti  Ti0  1  0.4856  0.5000  0.2844  1
  Ti  Ti1  1  0.5179  0.0000  0.7106  1
  Ti  Ti2  1  0.9851  0.5000  0.2187  1
  Cu  Cu3  1  0.1746  0.0000  0.4318  1
  Cu  Cu4  1  0.3150  0.5000  0.9237  1
  Cu  Cu5  1  0.6693  0.0000  0.0667  1
  Cu  Cu6  1  0.8286  0.5000  0.5746  1
  Ge  Ge7  1  0.2481  0.0000  0.0968  1
  Ge  Ge8  1  0.2520  0.5000  0.5970  1
  Ge  Ge9  1  0.7547  0.0000  0.3940  1
  Ge  Ge10  1  0.7669  0.5000  0.8990  1
]