data_[Rb2Ca2Cu2I8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Ca  1.0000  1.8000  1.1400
  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 [7.2141]
_cell_length_b [8.1376]
_cell_length_c [10.0070]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.8610]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [RbCaCuI4]
_chemical_formula_sum '[Rb2 Ca2 Cu2 I8]'
_cell_volume [552.5262]
_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  0.2230  0.2500  0.0476  1
  Ca  Ca1  2  0.2254  0.2500  0.5584  1
  Cu  Cu2  2  0.2142  0.7500  0.3291  1
  I  I3  4  0.0229  0.5059  0.7106  1
  I  I4  2  0.4089  0.7500  0.1490  1
  I  I5  2  0.4633  0.7500  0.5884  1
]