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 [P2_1/c]
_cell_length_a [7.4764]
_cell_length_b [4.4680]
_cell_length_c [9.9193]
_cell_angle_alpha [90.0000]
_cell_angle_beta [131.5030]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [TaHRh3]
_chemical_formula_sum '[Ta4 H4 Rh12]'
_cell_volume [248.1523]
_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  0.2503  0.7424  0.2033  1.0
  H  H1  4  0.2476  0.0426  0.3736  1.0
  Rh  Rh2  4  0.0052  0.7481  0.8388  1.0
  Rh  Rh3  4  0.2502  0.2486  0.0442  1.0
  Rh  Rh4  4  0.4957  0.7463  0.5839  1.0
]