data_[Rb2Sr2Cu2I8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Sr  0.9500  2.0000  1.3200
  Cu  1.9000  1.3500  0.8200
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.4450]
_cell_length_b [8.1681]
_cell_length_c [10.0585]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.3369]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [RbSrCuI4]
_chemical_formula_sum '[Rb2 Sr2 Cu2 I8]'
_cell_volume [577.1638]
_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
[
  Rb  Rb0  2  0.2365  0.2500  0.0541  1.0
  Sr  Sr1  2  0.2311  0.2500  0.5579  1.0
  Cu  Cu2  2  0.2179  0.7500  0.3217  1.0
  I  I3  4  0.0153  0.5057  0.7209  1.0
  I  I4  2  0.4054  0.7500  0.1420  1.0
  I  I5  2  0.4373  0.7500  0.5861  1.0
]