data_[Na4Li4Er8S16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Li  0.9800  1.4500  0.9000
  Er  1.2400  1.7500  1.0300
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [7.8074]
_cell_length_b [7.8849]
_cell_length_c [11.1037]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [NaLi(ErS2)2]
_chemical_formula_sum '[Na4 Li4 Er8 S16]'
_cell_volume [683.5542]
_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
[
  Na  Na0  4  0.2500  0.2500  0.2500  1.0
  Li  Li1  4  0.0000  0.0000  0.5000  1.0
  Er  Er2  4  0.0000  0.0000  0.0000  1.0
  Er  Er3  4  0.2500  0.2500  0.7500  1.0
  S  S4  8  0.0000  0.0122  0.7538  1.0
  S  S5  8  0.2440  0.2500  0.9943  1.0
]