data_[Er1Sn3N3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Sn  1.9600  1.4500  0.8300
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.5438]
_cell_length_b [19.9331]
_cell_length_c [6.2789]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Er(SnN)3]
_chemical_formula_sum '[Er1 Sn3 N3]'
_cell_volume [443.5319]
_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  0.0000  0.5000  0.2223  1
  Sn  Sn1  2  0.5000  0.3763  0.9958  1
  Sn  Sn2  1  0.5000  0.5000  0.6817  1
  N  N3  2  0.0000  0.3849  0.1739  1
  N  N4  1  0.5000  0.5000  0.0150  1
]