data_[Be1Tl1Cl2]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [5.7869]
_cell_length_b [3.4157]
_cell_length_c [5.8811]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.7906]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [BeTlCl2]
_chemical_formula_sum '[Be1 Tl1 Cl2]'
_cell_volume [107.1721]
_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  0.4232  0.5000  0.0901  1
  Tl  Tl1  1  0.8245  0.0000  0.4682  1
  Cl  Cl2  1  0.2309  0.0000  0.1242  1
  Cl  Cl3  1  0.5214  0.5000  0.8174  1
]