data_[Rb4Ca4I2O12]
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
  I  2.6600  1.4000  1.2733
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.9985]
_cell_length_b [10.1484]
_cell_length_c [6.9440]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.0629]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Rb2Ca2IO6]
_chemical_formula_sum '[Rb4 Ca4 I2 O12]'
_cell_volume [404.1085]
_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  4  0.0000  0.1713  0.0000  1
  Ca  Ca1  4  0.0000  0.3358  0.5000  1
  I  I2  2  0.0000  0.0000  0.5000  1
  O  O3  8  0.2001  0.1470  0.6679  1
  O  O4  4  0.2269  0.0000  0.3305  1
]