data_[Er3Sb1I7]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Sb  2.0500  1.4500  0.8300
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [8.8576]
_cell_length_b [8.8576]
_cell_length_c [7.1109]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [Er3SbI7]
_chemical_formula_sum '[Er3 Sb1 I7]'
_cell_volume [483.1488]
_cell_formula_units_Z [1]
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  3  0.1642  0.3284  0.2254  1
  Sb  Sb1  1  0.0000  0.0000  0.4538  1
  I  I2  3  0.0086  0.5043  0.4528  1
  I  I3  3  0.3186  0.1593  0.9758  1
  I  I4  1  0.3333  0.6667  0.9692  1
]