data_[Rb10Ca2I12]
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
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.0486]
_cell_length_b [15.5938]
_cell_length_c [9.1576]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.9526]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Rb5CaI6]
_chemical_formula_sum '[Rb10 Ca2 I12]'
_cell_volume [1222.1111]
_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  0.1706  0.5000  1.0
  Rb  Rb1  4  0.0000  0.3340  0.0000  1.0
  Rb  Rb2  2  0.0000  0.5000  0.5000  1.0
  Ca  Ca3  2  0.0000  0.0000  0.0000  1.0
  I  I4  8  0.2184  0.1453  0.2186  1.0
  I  I5  4  0.2160  0.0000  0.7780  1.0
]