data_[Ba1Sb2F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Sb  2.0500  1.4500  0.8300
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.4622]
_cell_length_b [5.7278]
_cell_length_c [9.9973]
_cell_angle_alpha [92.7698]
_cell_angle_beta [104.9102]
_cell_angle_gamma [115.5136]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [BaSb2F12]
_chemical_formula_sum '[Ba1 Sb2 F12]'
_cell_volume [268.1945]
_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
[
  Ba  Ba0  1  0.0100  0.9846  0.8937  1.0
  Sb  Sb1  1  0.1865  0.5048  0.5897  1.0
  Sb  Sb2  1  0.4096  0.6838  0.1387  1.0
  F  F3  1  0.0711  0.5176  0.9693  1.0
  F  F4  1  0.1488  0.7716  0.7018  1.0
  F  F5  1  0.1985  0.4278  0.2316  1.0
  F  F6  1  0.2484  0.2385  0.5089  1.0
  F  F7  1  0.2533  0.9188  0.1670  1.0
  F  F8  1  0.4405  0.7776  0.5199  1.0
  F  F9  1  0.5150  0.5763  0.7555  1.0
  F  F10  1  0.5167  0.4390  0.0602  1.0
  F  F11  1  0.5837  0.9184  0.0155  1.0
  F  F12  1  0.7494  0.8572  0.2883  1.0
  F  F13  1  0.8510  0.4382  0.4462  1.0
  F  F14  1  0.9652  0.2558  0.6915  1.0
]