data_[Na6In6As4]
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 [Amm2]
_cell_length_a [21.5399]
_cell_length_b [4.0842]
_cell_length_c [12.2720]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Na3In3As2]
_chemical_formula_sum '[Na6 In6 As4]'
_cell_volume [1079.5923]
_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  0.1377  0.0000  0.2054  1
  Na  Na1  2  0.0000  0.0000  0.4600  1
  In  In2  4  0.1518  0.0000  0.4919  1
  In  In3  2  0.0000  0.0000  0.7291  1
  As  As4  4  0.1000  0.0000  0.8744  1
]