data_[Ta4Tl2Mo2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Tl  1.6200  1.9000  1.3325
  Mo  2.1600  1.4500  0.7750
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.8394]
_cell_length_b [2.9397]
_cell_length_c [5.2370]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.5340]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Ta2TlMo]
_chemical_formula_sum '[Ta4 Tl2 Mo2]'
_cell_volume [149.8022]
_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
[
  Ta  Ta0  2  0.2521  0.0000  0.7592  1
  Ta  Ta1  2  0.4992  0.5000  0.0014  1
  Tl  Tl2  2  0.4992  0.0000  0.4973  1
  Mo  Mo3  2  0.2495  0.5000  0.2421  1
]