data_[Er8Si2I10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Si  1.9000  1.1000  0.5400
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.0158]
_cell_length_b [4.1575]
_cell_length_c [8.7030]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.5792]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er4SiI5]
_chemical_formula_sum '[Er8 Si2 I10]'
_cell_volume [671.5298]
_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  0.0001  0.0000  0.7921  1.0
  Er  Er1  4  0.1437  0.5000  0.0725  1.0
  Si  Si2  2  0.0000  0.5000  0.0000  1.0
  I  I3  4  0.1662  0.0000  0.3353  1.0
  I  I4  4  0.1722  0.0000  0.8304  1.0
  I  I5  2  0.0000  0.5000  0.5000  1.0
]