data_[Cs2Er4I14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Er  1.2400  1.7500  1.0300
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [9.7108]
_cell_length_b [15.7768]
_cell_length_c [6.0148]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [CsEr2I7]
_chemical_formula_sum '[Cs2 Er4 I14]'
_cell_volume [921.4971]
_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
[
  Cs  Cs0  2  0.0000  0.0000  0.0000  1.0
  Er  Er1  4  0.0000  0.3020  0.5000  1.0
  I  I2  8  0.1884  0.1408  0.5000  1.0
  I  I3  4  0.0000  0.2991  0.0000  1.0
  I  I4  2  0.0000  0.5000  0.5000  1.0
]