data_[Ba2Na2In2Te6]
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
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.5369]
_cell_length_b [4.6449]
_cell_length_c [11.7019]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.2510]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [BaNaInTe3]
_chemical_formula_sum '[Ba2 Na2 In2 Te6]'
_cell_volume [462.0657]
_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
[
  Ba  Ba0  2  0.1595  0.2500  0.2940  1.0
  Na  Na1  2  0.3411  0.7500  0.9236  1.0
  In  In2  2  0.2772  0.2500  0.6865  1.0
  Te  Te3  2  0.0785  0.2500  0.8645  1.0
  Te  Te4  2  0.1960  0.7500  0.5445  1.0
  Te  Te5  2  0.4245  0.7500  0.1934  1.0
]