data_[Cs1Ba2Cr1F8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Ba  0.8900  2.1500  1.4900
  Cr  1.6600  1.4000  0.9400
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [4.7945]
_cell_length_b [8.4782]
_cell_length_c [5.7265]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.1358]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [CsBa2CrF8]
_chemical_formula_sum '[Cs1 Ba2 Cr1 F8]'
_cell_volume [229.1386]
_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
[
  Cs  Cs0  1  0.0000  0.5000  0.0000  1.0
  Ba  Ba1  2  0.5000  0.2381  0.5000  1.0
  Cr  Cr2  1  0.0000  0.0000  0.0000  1.0
  F  F3  4  0.0738  0.1702  0.7789  1.0
  F  F4  2  0.3760  0.0000  0.1982  1.0
  F  F5  2  0.4201  0.5000  0.7133  1.0
]