data_[Ta2H2Rh6]
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 [Pm]
_cell_length_a [3.9686]
_cell_length_b [5.6152]
_cell_length_c [5.6168]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.1905]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [TaHRh3]
_chemical_formula_sum '[Ta2 H2 Rh6]'
_cell_volume [125.1686]
_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
[
  Ta  Ta0  1  0.5930  0.5000  0.7644  1.0
  Ta  Ta1  1  0.6030  0.0000  0.2832  1.0
  H  H2  1  0.1063  0.5000  0.2791  1.0
  H  H3  1  0.3033  0.0000  0.9747  1.0
  Rh  Rh4  2  0.0752  0.2590  0.0148  1.0
  Rh  Rh5  2  0.0915  0.2483  0.5171  1.0
  Rh  Rh6  1  0.5884  0.5000  0.2690  1.0
  Rh  Rh7  1  0.6046  0.0000  0.7520  1.0
]