data_[Ta4H4Rh12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  H  2.2000  0.2500  0.0000
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.9873]
_cell_length_b [3.8894]
_cell_length_c [8.1378]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.9724]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TaHRh3]
_chemical_formula_sum '[Ta4 H4 Rh12]'
_cell_volume [253.5189]
_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
[
  Ta  Ta0  4  0.1283  0.0000  0.6979  1
  H  H1  4  0.0000  0.2397  0.0000  1
  Rh  Rh2  4  0.1198  0.5000  0.4388  1
  Rh  Rh3  4  0.1306  0.5000  0.9302  1
  Rh  Rh4  4  0.1404  0.0000  0.2114  1
]