data_[Er8U2S10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  U  1.3800  1.7500  0.9913
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.8617]
_cell_length_b [3.8617]
_cell_length_c [27.3101]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [Er4US5]
_chemical_formula_sum '[Er8 U2 S10]'
_cell_volume [407.2690]
_cell_formula_units_Z [2]
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  4  0.0000  0.0000  0.1984  1
  Er  Er1  4  0.0000  0.0000  0.4009  1
  U  U2  2  0.0000  0.0000  0.0000  1
  S  S3  4  0.0000  0.0000  0.1005  1
  S  S4  4  0.0000  0.0000  0.2995  1
  S  S5  2  0.0000  0.0000  0.5000  1
]