data_[Ba4V4Zn4F28]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  V  1.6300  1.3500  0.7775
  Zn  1.6500  1.3500  0.8800
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.6714]
_cell_length_b [10.1056]
_cell_length_c [9.7003]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.8275]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [BaVZnF7]
_chemical_formula_sum '[Ba4 V4 Zn4 F28]'
_cell_volume [555.2699]
_cell_formula_units_Z [4]
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  4  0.2615  0.6817  0.4985  1
  V  V1  4  0.1949  0.1118  0.3107  1
  Zn  Zn2  4  0.3035  0.1005  0.6893  1
  F  F3  4  0.0213  0.2209  0.7507  1
  F  F4  4  0.1103  0.0409  0.1323  1
  F  F5  4  0.1124  0.5577  0.1206  1
  F  F6  4  0.2588  0.1922  0.4977  1
  F  F7  4  0.3642  0.5535  0.8716  1
  F  F8  4  0.3885  0.0418  0.8759  1
  F  F9  4  0.4791  0.2080  0.2536  1
]