data_[Ba4Sr4In4]
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 [Pnma]
_cell_length_a [7.8623]
_cell_length_b [5.8605]
_cell_length_c [11.0171]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [BaSrIn]
_chemical_formula_sum '[Ba4 Sr4 In4]'
_cell_volume [507.6370]
_cell_formula_units_Z [4]
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  0.1761  0.2500  0.9285  1.0
  Sr  Sr1  4  0.0289  0.2500  0.3052  1.0
  In  In2  4  0.2126  0.2500  0.6068  1.0
]