data_[Ba4Na4In4Sb8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  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 [16.7095]
_cell_length_b [4.8809]
_cell_length_c [11.7930]
_cell_angle_alpha [90.0000]
_cell_angle_beta [128.3439]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [BaNaInSb2]
_chemical_formula_sum '[Ba4 Na4 In4 Sb8]'
_cell_volume [754.3480]
_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
[
  Ba  Ba0  4  0.2148  0.0000  0.6437  1.0
  Na  Na1  4  0.1455  0.5000  0.9085  1.0
  In  In2  4  0.0439  0.0000  0.1938  1.0
  Sb  Sb3  4  0.0794  0.5000  0.3678  1.0
  Sb  Sb4  4  0.1616  0.0000  0.0862  1.0
]