data_[Sr2H1I1O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  H  2.2000  0.2500  0.0000
  I  2.6600  1.4000  1.2733
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.3897]
_cell_length_b [5.8285]
_cell_length_c [5.8604]
_cell_angle_alpha [62.3027]
_cell_angle_beta [64.6298]
_cell_angle_gamma [62.6273]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Sr2HIO6]
_chemical_formula_sum '[Sr2 H1 I1 O6]'
_cell_volume [139.2460]
_cell_formula_units_Z [1]
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  0.2329  0.2917  0.2550  1.0
  Sr  Sr1  1  0.7574  0.7373  0.7360  1.0
  H  H2  1  0.6123  0.2856  0.6979  1.0
  I  I3  1  0.9950  0.0102  0.9941  1.0
  O  O4  1  0.1510  0.7818  0.2828  1.0
  O  O5  1  0.1984  0.7414  0.8231  1.0
  O  O6  1  0.2867  0.1769  0.7633  1.0
  O  O7  1  0.6721  0.8944  0.1453  1.0
  O  O8  1  0.7850  0.3014  0.1353  1.0
  O  O9  1  0.8081  0.2851  0.6661  1.0
]