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 [Cmm2]
_cell_length_a [5.6979]
_cell_length_b [5.7066]
_cell_length_c [8.1463]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [35]
_chemical_formula_structural [ZrHRh3]
_chemical_formula_sum '[Zr4 H4 Rh12]'
_cell_volume [264.8800]
_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  2  0.0000  0.0000  0.4375  1.0
  Zr  Zr1  2  0.0000  0.0000  0.9174  1.0
  H  H2  4  0.1831  0.5000  0.0798  1.0
  Rh  Rh3  4  0.2500  0.2500  0.1954  1.0
  Rh  Rh4  4  0.2500  0.2500  0.6777  1.0
  Rh  Rh5  2  0.0000  0.5000  0.4357  1.0
  Rh  Rh6  2  0.0000  0.5000  0.9090  1.0
]