data_[Be2Tl2In2I8]
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
  In  1.7800  1.5500  0.9400
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.5778]
_cell_length_b [7.9061]
_cell_length_c [9.8882]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.7209]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [BeTlInI4]
_chemical_formula_sum '[Be2 Tl2 In2 I8]'
_cell_volume [561.0686]
_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
[
  Be  Be0  2  0.2059  0.7500  0.2913  1.0
  Tl  Tl1  2  0.2632  0.2500  0.0737  1.0
  In  In2  2  0.2269  0.2500  0.5459  1.0
  I  I3  4  0.0001  0.5055  0.2307  1.0
  I  I4  2  0.3741  0.7500  0.5459  1.0
  I  I5  2  0.4125  0.7500  0.1474  1.0
]