data_[Ba2Sr2In4]
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 [Cm]
_cell_length_a [13.2688]
_cell_length_b [3.8615]
_cell_length_c [6.1095]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.2427]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [BaSrIn2]
_chemical_formula_sum '[Ba2 Sr2 In4]'
_cell_volume [293.6979]
_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  2  0.2746  0.0000  0.7916  1.0
  Sr  Sr1  2  0.4758  0.0000  0.4550  1.0
  In  In2  2  0.0314  0.0000  0.9949  1.0
  In  In3  2  0.2182  0.5000  0.2584  1.0
]