data_[Li2Mn1Tl1Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Mn  1.5500  1.4000  0.6483
  Tl  1.6200  1.9000  1.3325
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.2588]
_cell_length_b [6.3702]
_cell_length_c [7.6471]
_cell_angle_alpha [87.5466]
_cell_angle_beta [88.5256]
_cell_angle_gamma [78.3120]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Li2MnTlCl8]
_chemical_formula_sum '[Li2 Mn1 Tl1 Cl8]'
_cell_volume [298.2454]
_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
[
  Li  Li0  2  0.4383  0.4369  0.2463  1.0
  Mn  Mn1  1  0.0000  0.0000  0.0000  1.0
  Tl  Tl2  1  0.0000  0.0000  0.5000  1.0
  Cl  Cl3  2  0.1825  0.1518  0.7816  1.0
  Cl  Cl4  2  0.2206  0.1565  0.2435  1.0
  Cl  Cl5  2  0.2717  0.6922  0.9984  1.0
  Cl  Cl6  2  0.2838  0.6548  0.5106  1.0
]