data_[Ba4Sr16In2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Sr  0.9500  2.0000  1.3200
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [22.0187]
_cell_length_b [6.3801]
_cell_length_c [8.1171]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.0401]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba2Sr8In]
_chemical_formula_sum '[Ba4 Sr16 In2]'
_cell_volume [1137.4775]
_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
[
  Ba  Ba0  4  0.1607  0.0000  0.1697  1
  Sr  Sr1  4  0.0303  0.0000  0.7622  1
  Sr  Sr2  4  0.0840  0.5000  0.3968  1
  Sr  Sr3  4  0.1473  0.5000  0.8866  1
  Sr  Sr4  4  0.2209  0.0000  0.6553  1
  In  In5  2  0.0000  0.5000  0.0000  1
]