data_[Er6Al2H2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Al  1.6100  1.2500  0.6750
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.3535]
_cell_length_b [6.5045]
_cell_length_c [6.1207]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.9776]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Er3AlH]
_chemical_formula_sum '[Er6 Al2 H2]'
_cell_volume [213.1040]
_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
[
  Er  Er0  4  0.2529  0.5048  0.1520  1.0
  Er  Er1  2  0.2529  0.7500  0.6234  1.0
  Al  Al2  2  0.2567  0.2500  0.6594  1.0
  H  H3  2  0.0396  0.7500  0.9277  1.0
]