data_[Na2In8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.2234]
_cell_length_b [4.7612]
_cell_length_c [19.4949]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [NaIn4]
_chemical_formula_sum '[Na2 In8]'
_cell_volume [856.1128]
_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
[
  Na  Na0  2  0.3646  0.0000  0.3779  1
  In  In1  2  0.0114  0.5000  0.5906  1
  In  In2  2  0.0143  0.0000  0.4735  1
  In  In3  2  0.1944  0.5000  0.4495  1
  In  In4  2  0.3224  0.5000  0.6085  1
]