data_[Sr3Li3In3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Li  0.9800  1.4500  0.9000
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [5.0518]
_cell_length_b [5.0518]
_cell_length_c [12.4954]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [SrLiIn]
_chemical_formula_sum '[Sr3 Li3 In3]'
_cell_volume [276.1720]
_cell_formula_units_Z [3]
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
[
  Sr  Sr0  2  0.0000  0.0000  0.3334  1.0
  Sr  Sr1  1  0.0000  0.0000  0.0000  1.0
  Li  Li2  2  0.3333  0.6667  0.8258  1.0
  Li  Li3  1  0.6667  0.3333  0.5000  1.0
  In  In4  2  0.6667  0.3333  0.1575  1.0
  In  In5  1  0.3333  0.6667  0.5000  1.0
]