data_[Cs2Be2V2F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Be  1.5700  1.0500  0.5900
  V  1.6300  1.3500  0.7775
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [5.0696]
_cell_length_b [9.5360]
_cell_length_c [6.5420]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.9554]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [CsBeVF6]
_chemical_formula_sum '[Cs2 Be2 V2 F12]'
_cell_volume [315.8414]
_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
[
  Cs  Cs0  2  0.0000  0.0379  0.0000  1.0
  Be  Be1  2  0.0000  0.6155  0.5000  1.0
  V  V2  2  0.0000  0.3294  0.5000  1.0
  F  F3  4  0.1493  0.5061  0.3660  1.0
  F  F4  4  0.2037  0.3168  0.7495  1.0
  F  F5  4  0.2193  0.7055  0.6214  1.0
]