data_[Sr6Rh2I2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Rh  2.2800  1.3500  0.7450
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [4.2529]
_cell_length_b [10.1307]
_cell_length_c [8.9970]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [Sr3RhI]
_chemical_formula_sum '[Sr6 Rh2 I2]'
_cell_volume [387.6336]
_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  0.0000  0.1736  0.8519  1.0
  Sr  Sr1  2  0.0000  0.0000  0.2525  1.0
  Rh  Rh2  2  0.0000  0.5000  0.9764  1.0
  I  I3  2  0.0000  0.5000  0.4283  1.0
]