data_[Rb12Br4Cl2F6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Br  2.9600  1.1500  0.8825
  Cl  3.1600  1.0000  0.7800
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.6193]
_cell_length_b [4.3977]
_cell_length_c [9.0428]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.6255]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Rb6Br2ClF3]
_chemical_formula_sum '[Rb12 Br4 Cl2 F6]'
_cell_volume [754.9234]
_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  0.0089  0.0000  0.7338  1
  Rb  Rb1  4  0.1551  0.5000  0.6098  1
  Rb  Rb2  4  0.1732  0.5000  0.0538  1
  Br  Br3  4  0.1675  0.0000  0.3329  1
  Cl  Cl4  2  0.0000  0.5000  0.0000  1
  F  F5  4  0.1647  0.0000  0.8351  1
  F  F6  2  0.0000  0.5000  0.5000  1
]