data_[Ti2H2Rh6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  H  2.2000  0.2500  0.0000
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [4.4389]
_cell_length_b [5.5592]
_cell_length_c [4.8838]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.3715]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [TiHRh3]
_chemical_formula_sum '[Ti2 H2 Rh6]'
_cell_volume [120.5141]
_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  0.2342  0.7500  0.3432  1.0
  H  H1  2  0.4767  0.2500  0.9862  1.0
  Rh  Rh2  4  0.2472  0.5048  0.8276  1.0
  Rh  Rh3  2  0.2479  0.2500  0.3362  1.0
]