data_[Er2Fe4H14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Fe  1.8300  1.4000  0.8525
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [5.1069]
_cell_length_b [7.9938]
_cell_length_c [3.4327]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [ErFe2H7]
_chemical_formula_sum '[Er2 Fe4 H14]'
_cell_volume [140.1376]
_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  2  0.0000  0.0000  0.0000  1
  Fe  Fe1  4  0.0000  0.2990  0.5000  1
  H  H2  8  0.1922  0.1359  0.5000  1
  H  H3  4  0.0000  0.2988  0.0000  1
  H  H4  2  0.0000  0.5000  0.5000  1
]