data_[Er20Pb8N6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Pb  2.3300  1.8000  1.1225
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.7536]
_cell_length_b [4.7536]
_cell_length_c [34.8974]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [Er10Pb4N3]
_chemical_formula_sum '[Er20 Pb8 N6]'
_cell_volume [788.5567]
_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  8  0.0000  0.5000  0.1365  1
  Er  Er1  4  0.0000  0.0000  0.0682  1
  Er  Er2  4  0.0000  0.0000  0.2066  1
  Er  Er3  4  0.0000  0.5000  0.0000  1
  Pb  Pb4  4  0.0000  0.0000  0.2981  1
  Pb  Pb5  4  0.0000  0.0000  0.4318  1
  N  N6  4  0.0000  0.0000  0.1384  1
  N  N7  2  0.0000  0.0000  0.0000  1
]