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 [Pmm2]
_cell_length_a [4.6999]
_cell_length_b [4.7256]
_cell_length_c [8.1222]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [NaInSn]
_chemical_formula_sum '[Na2 In2 Sn2]'
_cell_volume [180.3917]
_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  0.0000  0.5000  0.8560  1.0
  Na  Na1  1  0.5000  0.0000  0.5386  1.0
  In  In2  1  0.0000  0.0000  0.1993  1.0
  In  In3  1  0.5000  0.0000  0.9417  1.0
  Sn  Sn4  1  0.0000  0.5000  0.4480  1.0
  Sn  Sn5  1  0.5000  0.5000  0.2030  1.0
]