data_[Er24Pb12N4]
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 [Cmc2_1]
_cell_length_a [11.2160]
_cell_length_b [15.4011]
_cell_length_c [6.7800]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Er6Pb3N]
_chemical_formula_sum '[Er24 Pb12 N4]'
_cell_volume [1171.1685]
_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  8  0.1564  0.2656  0.1972  1
  Er  Er1  8  0.1878  0.4671  0.6979  1
  Er  Er2  4  0.0000  0.0789  0.0270  1
  Er  Er3  4  0.0000  0.2657  0.7257  1
  Pb  Pb4  8  0.1464  0.1113  0.5090  1
  Pb  Pb5  4  0.0000  0.4085  0.3952  1
  N  N6  4  0.0000  0.2210  0.0291  1
]