data_[Ti8Zn12Rh4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Zn  1.6500  1.3500  0.8800
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.3944]
_cell_length_b [2.8537]
_cell_length_c [12.5070]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.5302]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ti2Zn3Rh]
_chemical_formula_sum '[Ti8 Zn12 Rh4]'
_cell_volume [370.6274]
_cell_formula_units_Z [4]
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  4  0.0521  0.0000  0.8939  1
  Ti  Ti1  4  0.1629  0.5000  0.4391  1
  Zn  Zn2  4  0.0761  0.0000  0.6088  1
  Zn  Zn3  4  0.1769  0.5000  0.0665  1
  Zn  Zn4  4  0.2292  0.5000  0.7552  1
  Rh  Rh5  4  0.0501  0.5000  0.2533  1
]