data_[Er4I1N2Cl1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  I  2.6600  1.4000  1.2733
  N  3.0400  0.6500  0.6300
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [3.5673]
_cell_length_b [3.5673]
_cell_length_c [13.8302]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [Er4IN2Cl]
_chemical_formula_sum '[Er4 I1 N2 Cl1]'
_cell_volume [152.4155]
_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  2  0.0000  0.0000  0.3281  1
  Er  Er1  2  0.6667  0.3333  0.1515  1
  I  I2  1  0.6667  0.3333  0.5000  1
  N  N3  2  0.3333  0.6667  0.2309  1
  Cl  Cl4  1  0.0000  0.0000  0.0000  1
]