data_[Li2Tl1Mo1Cl8]
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
  Mo  2.1600  1.4500  0.7750
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.0922]
_cell_length_b [8.8863]
_cell_length_c [6.3408]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.0232]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Li2TlMoCl8]
_chemical_formula_sum '[Li2 Tl1 Mo1 Cl8]'
_cell_volume [335.7429]
_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  0.5000  0.3289  0.5000  1
  Tl  Tl1  1  0.0000  0.5000  0.0000  1
  Mo  Mo2  1  0.0000  0.0000  0.0000  1
  Cl  Cl3  4  0.2408  0.1906  0.1850  1
  Cl  Cl4  2  0.2016  0.0000  0.7314  1
  Cl  Cl5  2  0.3133  0.5000  0.6729  1
]