data_[Ba1Be1Ag1F6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Be  1.5700  1.0500  0.5900
  Ag  1.9300  1.6000  1.0867
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.9119]
_cell_length_b [5.6115]
_cell_length_c [6.0079]
_cell_angle_alpha [87.8893]
_cell_angle_beta [66.1859]
_cell_angle_gamma [83.7698]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [BaBeAgF6]
_chemical_formula_sum '[Ba1 Be1 Ag1 F6]'
_cell_volume [150.5964]
_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  0.0101  0.9822  0.0540  1.0
  Be  Be1  1  0.3959  0.5108  0.2066  1.0
  Ag  Ag2  1  0.6795  0.4829  0.6551  1.0
  F  F3  1  0.0801  0.6335  0.3749  1.0
  F  F4  1  0.3269  0.3637  0.0121  1.0
  F  F5  1  0.4187  0.7932  0.6485  1.0
  F  F6  1  0.5747  0.7245  0.0667  1.0
  F  F7  1  0.5810  0.3362  0.3069  1.0
  F  F8  1  0.9330  0.1731  0.6753  1.0
]