data_[Zr4H4Rh12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  H  2.2000  0.2500  0.0000
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [8.1957]
_cell_length_b [5.6377]
_cell_length_c [5.6360]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [ZrHRh3]
_chemical_formula_sum '[Zr4 H4 Rh12]'
_cell_volume [260.4077]
_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
[
  Zr  Zr0  4  0.2575  0.0000  0.1287  1.0
  H  H1  2  0.0000  0.0000  0.0939  1.0
  H  H2  2  0.5000  0.0000  0.6287  1.0
  Rh  Rh3  4  0.0000  0.2478  0.3767  1.0
  Rh  Rh4  4  0.2486  0.0000  0.6274  1.0
  Rh  Rh5  4  0.5000  0.2500  0.8781  1.0
]