data_[Er8Sb4H12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Sb  2.0500  1.4500  0.8300
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.5599]
_cell_length_b [3.8643]
_cell_length_c [7.0864]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.6679]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er2SbH3]
_chemical_formula_sum '[Er8 Sb4 H12]'
_cell_volume [362.3242]
_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  0.0297  0.5000  0.2694  1.0
  Er  Er1  4  0.1996  0.0000  0.6796  1.0
  Sb  Sb2  4  0.1332  0.0000  0.0462  1.0
  H  H3  4  0.0628  0.0000  0.4104  1.0
  H  H4  4  0.0941  0.5000  0.6229  1.0
  H  H5  4  0.1928  0.5000  0.4737  1.0
]