data_[Er4H12Rh8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  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 [13.4133]
_cell_length_b [4.0779]
_cell_length_c [4.4620]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.8518]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [ErH3Rh2]
_chemical_formula_sum '[Er4 H12 Rh8]'
_cell_volume [243.9402]
_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
[
  Er  Er0  4  0.1028  0.5000  0.7426  1.0
  H  H1  4  0.0485  0.0000  0.8318  1.0
  H  H2  4  0.1063  0.5000  0.2406  1.0
  H  H3  4  0.2233  0.0000  0.3260  1.0
  Rh  Rh4  4  0.0795  0.0000  0.2367  1.0
  Rh  Rh5  4  0.2436  0.5000  0.2571  1.0
]