data_[Rb2Ca1Zn1I6]
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
  Zn  1.6500  1.3500  0.8800
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [7.9222]
_cell_length_b [8.2239]
_cell_length_c [9.2797]
_cell_angle_alpha [91.4164]
_cell_angle_beta [107.0942]
_cell_angle_gamma [117.7079]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Rb2CaZnI6]
_chemical_formula_sum '[Rb2 Ca1 Zn1 I6]'
_cell_volume [502.2217]
_cell_formula_units_Z [1]
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  1  0.0849  0.5239  0.4600  1.0
  Rb  Rb1  1  0.1695  0.1263  0.9618  1.0
  Ca  Ca2  1  0.6094  0.7586  0.1009  1.0
  Zn  Zn3  1  0.7864  0.3625  0.8383  1.0
  I  I4  1  0.0483  0.9012  0.2801  1.0
  I  I5  1  0.1556  0.6680  0.8891  1.0
  I  I6  1  0.4575  0.4994  0.3050  1.0
  I  I7  1  0.5421  0.5088  0.7993  1.0
  I  I8  1  0.7326  0.1912  0.0797  1.0
  I  I9  1  0.7369  0.1216  0.6241  1.0
]