data_[Na3Er3In6Br18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Er  1.2400  1.7500  1.0300
  In  1.7800  1.5500  0.9400
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [7.9154]
_cell_length_b [7.9154]
_cell_length_c [19.8408]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [NaEr(InBr3)2]
_chemical_formula_sum '[Na3 Er3 In6 Br18]'
_cell_volume [1076.5577]
_cell_formula_units_Z [3]
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
[
  Na  Na0  3  0.0000  0.0000  0.8161  1.0
  Er  Er1  3  0.0000  0.0000  0.3219  1.0
  In  In2  3  0.0000  0.0000  0.0279  1.0
  In  In3  3  0.0000  0.0000  0.5333  1.0
  Br  Br4  9  0.0272  0.6059  0.0752  1.0
  Br  Br5  9  0.0876  0.3392  0.9125  1.0
]