data_[Er24As9Se12N3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  As  2.1800  1.1500  0.6600
  Se  2.5500  1.1500  1.0133
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.9480]
_cell_length_b [7.9480]
_cell_length_c [19.7632]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Er8As3Se4N]
_chemical_formula_sum '[Er24 As9 Se12 N3]'
_cell_volume [1081.1952]
_cell_formula_units_Z [3]
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  18  0.0273  0.5137  0.2400  1
  Er  Er1  6  0.0000  0.0000  0.2463  1
  As  As2  9  0.0000  0.5000  0.5000  1
  Se  Se3  9  0.0000  0.5000  0.0000  1
  Se  Se4  3  -0.0000  -0.0000  0.0000  1
  N  N5  3  0.0000  0.0000  0.5000  1
]