data_[Na1Sr1In6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Sr  0.9500  2.0000  1.3200
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [5.0404]
_cell_length_b [6.7363]
_cell_length_c [6.8114]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [NaSrIn6]
_chemical_formula_sum '[Na1 Sr1 In6]'
_cell_volume [231.2722]
_cell_formula_units_Z [1]
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  0.5000  0.5000  0.6041  1
  Sr  Sr1  1  0.0000  0.0000  0.3933  1
  In  In2  2  0.0000  0.2668  0.8517  1
  In  In3  2  0.5000  0.2464  0.1440  1
  In  In4  1  0.0000  0.5000  0.2728  1
  In  In5  1  0.5000  0.0000  0.7384  1
]