data_[Tl2Zn4Mo2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Zn  1.6500  1.3500  0.8800
  Mo  2.1600  1.4500  0.7750
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [10.7100]
_cell_length_b [2.9255]
_cell_length_c [5.0750]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.8127]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [TlZn2Mo]
_chemical_formula_sum '[Tl2 Zn4 Mo2]'
_cell_volume [140.6401]
_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
[
  Tl  Tl0  2  0.2586  0.5000  0.1748  1
  Zn  Zn1  2  0.2390  0.0000  0.6489  1
  Zn  Zn2  2  0.4949  0.5000  0.0678  1
  Mo  Mo3  2  0.0074  0.5000  0.6085  1
]