data_[Na4In6Sb4]
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
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.2531]
_cell_length_b [4.7890]
_cell_length_c [8.1171]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.7392]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na2In3Sb2]
_chemical_formula_sum '[Na4 In6 Sb4]'
_cell_volume [421.0409]
_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  4  0.1409  0.0000  0.8091  1.0
  In  In1  4  0.1141  0.5000  0.4407  1.0
  In  In2  2  0.0000  0.5000  0.0000  1.0
  Sb  Sb3  4  0.1688  0.0000  0.2404  1.0
]