data_[Li1Mn2Tl1Cl8]
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-3]
_cell_length_a [6.6214]
_cell_length_b [6.6214]
_cell_length_c [8.8081]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [147]
_chemical_formula_structural [LiMn2TlCl8]
_chemical_formula_sum '[Li1 Mn2 Tl1 Cl8]'
_cell_volume [334.4343]
_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  1  0.0000  0.0000  0.5000  1.0
  Mn  Mn1  2  0.3333  0.6667  0.2603  1.0
  Tl  Tl2  1  0.0000  0.0000  0.0000  1.0
  Cl  Cl3  6  0.0225  0.6995  0.3223  1.0
  Cl  Cl4  2  0.3333  0.6667  0.0130  1.0
]