data_[Be1Tl2Sn1F6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Be  1.5700  1.0500  0.5900
  Tl  1.6200  1.9000  1.3325
  Sn  1.9600  1.4500  0.8300
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.6507]
_cell_length_b [6.2802]
_cell_length_c [6.6205]
_cell_angle_alpha [111.4065]
_cell_angle_beta [106.4016]
_cell_angle_gamma [106.1968]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [BeTl2SnF6]
_chemical_formula_sum '[Be1 Tl2 Sn1 F6]'
_cell_volume [189.6761]
_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
[
  Be  Be0  1  0.4801  0.6876  0.1925  1.0
  Tl  Tl1  1  0.8083  0.3593  0.2336  1.0
  Tl  Tl2  1  0.9498  0.8940  0.8556  1.0
  Sn  Sn3  1  0.3332  0.2197  0.5597  1.0
  F  F4  1  0.3185  0.4557  0.2112  1.0
  F  F5  1  0.3569  0.8888  0.2355  1.0
  F  F6  1  0.4134  0.0397  0.7633  1.0
  F  F7  1  0.4795  0.5882  0.9330  1.0
  F  F8  1  0.7505  0.3934  0.6468  1.0
  F  F9  1  0.7866  0.8120  0.3840  1.0
]