data_[Rb1Ti1Zn1Cl6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Ti  1.5400  1.4000  0.8517
  Zn  1.6500  1.3500  0.8800
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P312]
_cell_length_a [6.4889]
_cell_length_b [6.4889]
_cell_length_c [7.3219]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [149]
_chemical_formula_structural [RbTiZnCl6]
_chemical_formula_sum '[Rb1 Ti1 Zn1 Cl6]'
_cell_volume [266.9944]
_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  0.3333  0.6667  0.0000  1.0
  Ti  Ti1  1  0.0000  0.0000  0.5000  1.0
  Zn  Zn2  1  0.6667  0.3333  0.5000  1.0
  Cl  Cl3  6  0.3267  0.0424  0.3090  1.0
]