data_[Li2Tl2Mo4]
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
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.2604]
_cell_length_b [2.7712]
_cell_length_c [5.4032]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.5816]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [LiTlMo2]
_chemical_formula_sum '[Li2 Tl2 Mo4]'
_cell_volume [138.3897]
_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
[
  Li  Li0  2  0.2542  0.5000  0.2586  1
  Tl  Tl1  2  0.0038  0.5000  0.4740  1
  Mo  Mo2  2  0.2427  0.0000  0.7866  1
  Mo  Mo3  2  0.4994  0.5000  0.9808  1
]