data_[Er8Ga2I10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Ga  1.8100  1.3000  0.7600
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.0442]
_cell_length_b [4.1962]
_cell_length_c [8.7459]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.3958]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er4GaI5]
_chemical_formula_sum '[Er8 Ga2 I10]'
_cell_volume [682.6184]
_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  0.2109  1.0
  Er  Er1  4  0.1462  0.5000  0.0743  1.0
  Ga  Ga2  2  0.0000  0.5000  0.0000  1.0
  I  I3  4  0.1667  0.0000  0.3371  1.0
  I  I4  4  0.1736  0.0000  0.8309  1.0
  I  I5  2  0.0000  0.5000  0.5000  1.0
]