data_[Rb1Ba1C1O3F1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Ba  0.8900  2.1500  1.4900
  C  2.5500  0.7000  0.3000
  O  3.4400  0.6000  1.2600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [5.6080]
_cell_length_b [5.6080]
_cell_length_c [5.1309]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [RbBaCO3F]
_chemical_formula_sum '[Rb1 Ba1 C1 O3 F1]'
_cell_volume [139.7469]
_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
  Ba  Ba1  1  0.6667  0.3333  0.5000  1.0
  C  C2  1  0.0000  0.0000  0.5000  1.0
  O  O3  3  0.1344  0.2689  0.5000  1.0
  F  F4  1  0.6667  0.3333  0.0000  1.0
]