data_[Sr12In4O4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  In  1.7800  1.5500  0.9400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [7.4433]
_cell_length_b [12.9489]
_cell_length_c [7.1080]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.3414]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Sr3InO]
_chemical_formula_sum '[Sr12 In4 O4]'
_cell_volume [660.6794]
_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
[
  Sr  Sr0  8  0.2198  0.4628  0.5065  1.0
  Sr  Sr1  4  0.0000  0.2639  0.7500  1.0
  In  In2  4  0.0000  0.2347  0.2500  1.0
  O  O3  4  0.0000  0.4493  0.7500  1.0
]