data_[Ti1Zn6Rh1]
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 [P-6m2]
_cell_length_a [5.5842]
_cell_length_b [5.5842]
_cell_length_c [4.3788]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [TiZn6Rh]
_chemical_formula_sum '[Ti1 Zn6 Rh1]'
_cell_volume [118.2509]
_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  0.0000  0.0000  0.0000  1.0
  Zn  Zn1  3  0.0053  0.5027  0.0000  1.0
  Zn  Zn2  3  0.1659  0.8341  0.5000  1.0
  Rh  Rh3  1  0.6667  0.3333  0.5000  1.0
]