data_[Na4In4Sb4]
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 [10.7865]
_cell_length_b [4.6097]
_cell_length_c [8.0322]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.9329]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NaInSb]
_chemical_formula_sum '[Na4 In4 Sb4]'
_cell_volume [393.3926]
_cell_formula_units_Z [4]
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  0.1256  0.0000  0.3364  1.0
  In  In1  4  0.1183  0.5000  0.9452  1.0
  Sb  Sb2  4  0.1763  0.0000  0.7442  1.0
]