data_[Sr4H4I4]
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
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.4799]
_cell_length_b [4.2641]
_cell_length_c [7.0909]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.0256]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [SrHI]
_chemical_formula_sum '[Sr4 H4 I4]'
_cell_volume [352.2182]
_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  4  0.1562  0.0000  0.2625  1.0
  H  H1  4  0.2249  0.5000  0.3882  1.0
  I  I2  4  0.0895  0.5000  0.8242  1.0
]