data_[Er1Tm3Pb2N2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Tm  1.2500  1.7500  1.0950
  Pb  2.3300  1.8000  1.1225
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [3.4991]
_cell_length_b [3.4991]
_cell_length_c [15.3536]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [ErTm3(PbN)2]
_chemical_formula_sum '[Er1 Tm3 Pb2 N2]'
_cell_volume [162.7995]
_cell_formula_units_Z [1]
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  1  0.3333  0.6667  0.0834  1
  Tm  Tm1  1  0.3333  0.6667  0.4173  1
  Tm  Tm2  1  0.6667  0.3333  0.5830  1
  Tm  Tm3  1  0.6667  0.3333  0.9169  1
  Pb  Pb4  1  0.3333  0.6667  0.7498  1
  Pb  Pb5  1  0.6667  0.3333  0.2507  1
  N  N6  1  0.0000  0.0000  0.5001  1
  N  N7  1  0.0000  0.0000  0.9988  1
]