data_[Na2In2Sn2]
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
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [6.1724]
_cell_length_b [3.2626]
_cell_length_c [8.1411]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.9312]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [NaInSn]
_chemical_formula_sum '[Na2 In2 Sn2]'
_cell_volume [162.3776]
_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  1  0.5757  0.5000  0.3171  1.0
  Na  Na1  1  0.9561  0.5000  0.6845  1.0
  In  In2  1  0.4494  0.0000  0.6555  1.0
  In  In3  1  0.7662  0.0000  0.0020  1.0
  Sn  Sn4  1  0.0816  0.0000  0.3412  1.0
  Sn  Sn5  1  0.2618  0.0000  0.0038  1.0
]