data_[Sr6In2O2]
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 [P2_1/m]
_cell_length_a [7.0273]
_cell_length_b [7.1398]
_cell_length_c [7.2341]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.7669]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Sr3InO]
_chemical_formula_sum '[Sr6 In2 O2]'
_cell_volume [324.0637]
_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  4  0.1995  0.0045  0.2421  1
  Sr  Sr1  2  0.2901  0.2500  0.8031  1
  In  In2  2  0.2678  0.7500  0.7010  1
  O  O3  2  0.0540  0.2500  0.9578  1
]