data_[Sr2Y2In2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Y  1.2200  1.8000  1.0400
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [5.5199]
_cell_length_b [5.5199]
_cell_length_c [7.4555]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [SrYIn]
_chemical_formula_sum '[Sr2 Y2 In2]'
_cell_volume [196.7322]
_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
[
  Sr  Sr0  1  0.0000  0.0000  0.0262  1
  Sr  Sr1  1  0.3333  0.6667  0.2738  1
  Y  Y2  1  0.3333  0.6667  0.7666  1
  Y  Y3  1  0.6667  0.3333  0.5454  1
  In  In4  1  0.0000  0.0000  0.5355  1
  In  In5  1  0.6667  0.3333  0.9795  1
]