data_[Y4Er8N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Er  1.2400  1.7500  1.0300
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.8908]
_cell_length_b [4.8709]
_cell_length_c [10.3377]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [YEr2N3]
_chemical_formula_sum '[Y4 Er8 N12]'
_cell_volume [346.9732]
_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
[
  Y  Y0  4  0.1254  0.7500  0.0836  1
  Er  Er1  4  0.1247  0.7500  0.4167  1
  Er  Er2  4  0.1250  0.7500  0.7496  1
  N  N3  4  0.1225  0.2500  0.4153  1
  N  N4  4  0.1251  0.2500  0.7505  1
  N  N5  4  0.1278  0.2500  0.0841  1
]