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 [P1]
_cell_length_a [6.5831]
_cell_length_b [7.1423]
_cell_length_c [7.3914]
_cell_angle_alpha [89.7917]
_cell_angle_beta [71.3400]
_cell_angle_gamma [81.1444]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Sr3InO]
_chemical_formula_sum '[Sr6 In2 O2]'
_cell_volume [324.9497]
_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  1  0.0294  0.2482  0.9788  1.0
  Sr  Sr1  1  0.3066  0.4571  0.4669  1.0
  Sr  Sr2  1  0.4143  0.6240  0.9450  1.0
  Sr  Sr3  1  0.5002  0.1120  0.1379  1.0
  Sr  Sr4  1  0.7925  0.1186  0.5250  1.0
  Sr  Sr5  1  0.8417  0.6119  0.3077  1.0
  In  In6  1  0.3155  0.9287  0.5698  1.0
  In  In7  1  0.9263  0.7669  0.8388  1.0
  O  O8  1  0.2144  0.4057  0.1724  1.0
  O  O9  1  0.6951  0.3168  0.2764  1.0
]