data_[Ti8Ni4Rh6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Ni  1.9100  1.3500  0.7400
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.1479]
_cell_length_b [3.9913]
_cell_length_c [8.1020]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.5133]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ti4Ni2Rh3]
_chemical_formula_sum '[Ti8 Ni4 Rh6]'
_cell_volume [260.5831]
_cell_formula_units_Z [2]
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  0.0247  0.0000  0.3392  1
  Ti  Ti1  4  0.1612  0.5000  0.8836  1
  Ni  Ni2  4  0.1722  0.5000  0.2077  1
  Rh  Rh3  4  0.1622  0.5000  0.5808  1
  Rh  Rh4  2  0.0000  0.0000  0.0000  1
]