data_[Er9In3N2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  In  1.7800  1.5500  0.9400
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [6.7700]
_cell_length_b [6.7700]
_cell_length_c [8.2981]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Er9In3N2]
_chemical_formula_sum '[Er9 In3 N2]'
_cell_volume [329.3682]
_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  6  0.1699  0.8301  0.6711  1
  Er  Er1  3  0.0000  0.5000  0.0000  1
  In  In2  2  0.3333  0.6667  0.3337  1
  In  In3  1  0.0000  0.0000  0.0000  1
  N  N4  2  0.3333  0.6667  0.8352  1
]