data_[Er8H2N6]
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
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [6.9249]
_cell_length_b [9.5855]
_cell_length_c [3.4341]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Er4HN3]
_chemical_formula_sum '[Er8 H2 N6]'
_cell_volume [227.9523]
_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  0.0000  0.2545  0.5000  1
  Er  Er1  4  0.2337  0.5000  0.0000  1
  H  H2  2  0.0000  0.0000  0.5000  1
  N  N3  4  0.2500  0.2500  0.0000  1
  N  N4  2  0.0000  0.5000  0.5000  1
]