data_[Na2In2Sb2]
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 [P1]
_cell_length_a [4.5650]
_cell_length_b [5.8921]
_cell_length_c [7.7869]
_cell_angle_alpha [78.0724]
_cell_angle_beta [87.2184]
_cell_angle_gamma [69.3842]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [NaInSb]
_chemical_formula_sum '[Na2 In2 Sb2]'
_cell_volume [191.7377]
_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  1  0.4771  0.9602  0.2674  1.0
  Na  Na1  1  0.7446  0.3638  0.5382  1.0
  In  In2  1  0.2260  0.3681  0.8983  1.0
  In  In3  1  0.4743  0.8878  0.8025  1.0
  Sb  Sb4  1  0.0412  0.7770  0.5806  1.0
  Sb  Sb5  1  0.6741  0.4577  0.1099  1.0
]