data_[Na1In4As2]
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
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [6.6637]
_cell_length_b [5.4575]
_cell_length_c [17.9841]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Na(In2As)2]
_chemical_formula_sum '[Na1 In4 As2]'
_cell_volume [654.0347]
_cell_formula_units_Z [1]
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  0.1489  0.5000  0.4076  1
  In  In1  2  0.3914  0.2525  0.5724  1
  In  In2  1  0.7073  0.0000  0.4476  1
  In  In3  1  0.8869  0.5000  0.5735  1
  As  As4  1  0.0911  0.0000  0.4887  1
  As  As5  1  0.5991  0.5000  0.4378  1
]