data_[Na3Sr1In8]
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 [P3m1]
_cell_length_a [6.3321]
_cell_length_b [6.3321]
_cell_length_c [10.0424]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [Na3SrIn8]
_chemical_formula_sum '[Na3 Sr1 In8]'
_cell_volume [348.7119]
_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  0.0000  0.0000  0.0564  1.0
  Na  Na1  1  0.6667  0.3333  0.5769  1.0
  Na  Na2  1  0.6667  0.3333  0.9348  1.0
  Sr  Sr3  1  0.0000  0.0000  0.4340  1.0
  In  In4  3  0.1611  0.3222  0.7520  1.0
  In  In5  3  0.5045  0.0090  0.2479  1.0
  In  In6  1  0.3333  0.6667  0.5035  1.0
  In  In7  1  0.3333  0.6667  0.9947  1.0
]