data_[Li2Tl2As2F2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Tl  1.6200  1.9000  1.3325
  As  2.1800  1.1500  0.6600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [4.7382]
_cell_length_b [3.7078]
_cell_length_c [9.4680]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.2208]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [LiTlAsF]
_chemical_formula_sum '[Li2 Tl2 As2 F2]'
_cell_volume [163.1536]
_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
[
  Li  Li0  2  0.1813  0.5000  0.7720  1
  Tl  Tl1  2  0.1738  0.0000  0.1464  1
  As  As2  2  0.2102  0.5000  0.4171  1
  F  F3  2  0.2939  0.0000  0.7907  1
]