data_[Ti4Cu2Rh6]
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
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.3204]
_cell_length_b [4.3204]
_cell_length_c [10.6315]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Ti2CuRh3]
_chemical_formula_sum '[Ti4 Cu2 Rh6]'
_cell_volume [171.8587]
_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  2  0.3333  0.6667  0.1860  1
  Ti  Ti1  1  0.0000  0.0000  0.0000  1
  Ti  Ti2  1  0.0000  0.0000  0.5000  1
  Cu  Cu3  2  0.3333  0.6667  0.6703  1
  Rh  Rh4  2  0.0000  0.0000  0.2434  1
  Rh  Rh5  2  0.3333  0.6667  0.4216  1
  Rh  Rh6  2  0.3333  0.6667  0.9238  1
]