data_[Er8I10]
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
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [20.0564]
_cell_length_b [3.9708]
_cell_length_c [9.6751]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.4932]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er4I5]
_chemical_formula_sum '[Er8 I10]'
_cell_volume [746.0088]
_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  0.0009  0.0000  0.2399  1.0
  Er  Er1  4  0.0868  0.5000  0.0442  1.0
  I  I2  4  0.1553  0.0000  0.8660  1.0
  I  I3  4  0.1568  0.0000  0.2927  1.0
  I  I4  2  0.0000  0.5000  0.5000  1.0
]